data_2dax_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 2dax _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.857 0.361 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -52.31 -51.3 59.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.2 -38.38 76.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -74.6 -29.83 61.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.21 -36.87 83.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -79.49 -60.1 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.1 tp -45.13 -53.59 7.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -39.99 -58.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 19' ' ' LEU . 12.1 tt0 -52.78 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.2 mt -38.73 -53.11 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -53.39 -39.54 64.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 16' ' ' GLU . 13.0 tp -69.34 -57.35 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' ALA . 25.5 mt -40.49 -57.46 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -35.75 -41.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t -75.41 -45.03 41.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' LEU . 97.3 mmm -50.95 -25.83 5.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.729 . . . . 0.0 110.88 -179.918 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.802 0.334 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -106.52 -41.67 5.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.64 131.72 23.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.454 HD12 ' ND2' ' A' ' 62' ' ' ASN . 4.6 mp -133.19 129.82 57.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.0 p -108.26 121.4 61.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.47 -39.87 18.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -95.32 79.03 3.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.427 ' NE2' ' HA ' ' A' ' 35' ' ' GLN . 4.4 tp-100 -75.41 -38.57 59.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.1 tp -48.68 -43.32 36.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.32 -54.25 11.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.9 t -56.03 -51.47 61.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.42 -44.6 24.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.077 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -65.4 -34.63 78.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.4 tp -71.41 -25.86 62.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -83.6 -36.52 23.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -76.54 -43.26 39.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.836 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 9.9 p -49.57 -39.42 34.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.5 mt -65.98 -50.45 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.911 0.386 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -81.13 145.09 31.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -69.48 97.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -101.21 126.53 47.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -154.55 132.35 11.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.6 m -97.44 148.79 22.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.5 mt -123.53 116.69 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.454 ' ND2' HD12 ' A' ' 31' ' ' ILE . 67.0 m-80 -93.07 115.71 28.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 34.5 mtp -118.08 123.72 46.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.464 ' N ' ' HE1' ' A' ' 74' ' ' MET . 34.8 p-10 -87.01 113.97 23.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.36 161.94 36.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -93.97 147.14 23.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.407 ' CG2' ' N ' ' A' ' 68' ' ' SER . 27.1 m -116.57 -51.76 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.407 ' N ' ' CG2' ' A' ' 67' ' ' VAL . 3.1 m -166.53 -179.44 4.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 45.11 41.23 5.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 41.6 35.68 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -113.0 164.25 13.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.3 mtp -122.56 159.3 28.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.459 ' CB ' HD23 ' A' ' 98' ' ' LEU . . . -154.91 159.49 40.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.464 ' HE1' ' N ' ' A' ' 64' ' ' ASN . 2.2 tpt -91.84 141.17 28.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.555 ' CE2' ' HB3' ' A' ' 136' ' ' ALA . 9.3 m-85 -120.58 109.97 15.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.1 m -85.92 122.68 30.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.812 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.8 mp -114.89 93.5 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.25 93.36 1.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 30.4 m -92.94 133.56 35.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.8 mt -127.99 123.39 60.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.8 mt -97.51 111.7 59.23 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.578 0.704 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -179.49 2.98 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.331 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -90.63 27.35 1.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.489 ' O ' ' C ' ' A' ' 85' ' ' TYR . 4.2 mttm -125.12 -43.05 1.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.628 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.8 t80 -31.24 140.73 0.15 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.669 0.747 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.628 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.8 -8.66 10.7 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.381 -0.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.487 ' HB1' ' CB ' ' A' ' 84' ' ' LYS . . . -31.91 -73.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.4 m -109.13 130.75 61.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 43.5 mt -51.06 153.63 3.06 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.594 0.712 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.594 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.2 Cg_endo -69.74 176.8 6.28 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.711 2.274 . . . . 0.0 112.287 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -107.31 55.37 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.415 ' CG2' HD23 ' A' ' 111' ' ' LEU . 61.0 mt -59.85 118.15 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 89.8 m -120.18 103.06 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.0 t -76.81 135.32 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -142.48 141.91 32.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 98' ' ' LEU . 6.4 t -166.59 121.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.7 m -39.5 -29.27 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.104 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.463 ' N ' HD13 ' A' ' 98' ' ' LEU . 8.8 mp -60.77 -55.85 28.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.0 mt -71.27 137.57 48.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 89.9 p -86.16 177.65 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -57.74 -48.63 79.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.8 m -61.47 -64.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 104' ' ' GLN . 33.0 mm-40 -49.74 -67.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 103' ' ' GLN . 16.0 tp60 -34.47 -49.97 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 52.1 m -50.9 -64.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -51.01 -46.86 61.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.443 HD13 ' CD2' ' A' ' 139' ' ' TYR . 9.2 tt -49.8 -61.51 2.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -49.84 -60.58 2.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 94.8 m -39.39 -36.83 0.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 111' ' ' LEU . 0.7 OUTLIER -76.79 -57.02 4.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.415 HD23 ' CG2' ' A' ' 92' ' ' ILE . 15.4 tp -37.48 -42.66 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.9 m -65.93 -51.84 55.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -49.1 -50.32 37.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 113' ' ' ALA . 14.0 t80 -36.04 -59.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 116' ' ' GLN . 12.1 mt -61.89 -57.58 11.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 115' ' ' LEU . 79.2 mt-30 -34.82 -34.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 115' ' ' LEU . 0.1 OUTLIER -93.54 -64.64 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -63.42 -65.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 60.4 m -97.88 105.56 17.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -134.92 111.13 9.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 85.63 36.13 10.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -151.89 166.83 30.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.405 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 17.0 m -96.98 86.89 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 83.0 m -132.86 92.49 3.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.3 mm -89.31 -22.95 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 128' ' ' ALA . 56.7 mt -73.16 -51.51 17.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 126' ' ' LEU . 5.9 m120 -36.69 -29.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 126' ' ' LEU . . . -77.31 -61.94 1.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.073 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 72.1 p -43.03 -32.39 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -74.72 -37.93 62.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.496 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 38.7 t90 -72.96 -20.09 61.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 134' ' ' GLU . 39.4 t -80.95 -67.33 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 132' ' ' VAL . 14.3 ptm180 -36.48 -31.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 132' ' ' VAL . 9.5 mt-10 -79.6 -61.43 2.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.496 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 13.9 m-70 -64.97 -55.07 21.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.555 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . . . -33.93 -68.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 14.9 m -40.65 -41.78 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -65.41 -50.37 55.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.47 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.443 ' CD2' HD13 ' A' ' 107' ' ' LEU . 32.6 m-85 -51.43 -48.54 62.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.904 0.383 . . . . 0.0 110.893 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.129 179.915 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.867 0.365 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -40.82 -48.28 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.06 -40.19 30.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.072 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' ALA . 34.1 mt-10 -66.59 -51.52 55.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . -35.3 -65.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -47.8 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 15' ' ' ALA . 31.5 tp -40.89 -51.77 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.77 -67.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -47.78 -61.42 1.96 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.7 mt -41.34 -46.42 3.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -57.82 -43.95 86.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.1 tp -66.02 -46.1 79.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 21' ' ' ALA . 9.0 mt -55.6 -63.34 1.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -36.52 -47.37 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -66.74 -44.29 81.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 62.4 mmm -55.21 -41.21 71.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.624 0.726 . . . . 0.0 110.871 -179.927 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.783 0.325 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -91.37 -64.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.48 139.32 45.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.466 HD13 ' ND2' ' A' ' 62' ' ' ASN . 5.1 mp -131.86 121.63 47.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.409 ' CG1' ' O ' ' A' ' 34' ' ' ASP . 55.3 t -102.12 94.53 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -61.07 -52.85 63.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.409 ' O ' ' CG1' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -75.03 133.47 41.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.401 ' NE2' HG13 ' A' ' 32' ' ' VAL . 79.6 mm-40 -123.96 -34.12 3.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -56.32 -63.52 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -38.05 -54.46 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.87 -56.01 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.95 -40.59 22.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -69.03 -43.81 73.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.0 tp -56.33 -52.43 64.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -58.43 -47.1 85.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -60.17 -39.88 87.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 78.0 m -54.21 -49.94 68.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.5 mt -56.93 -51.01 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.921 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.949 0.404 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.43 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 3.9 mtmp? -77.63 145.17 36.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.7 t -65.34 106.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -100.77 126.12 47.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 18.9 p90 -157.93 128.21 6.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.412 HG21 ' N ' ' A' ' 61' ' ' ILE . 74.9 m -95.87 151.33 19.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.412 ' N ' HG21 ' A' ' 60' ' ' THR . 22.7 mt -124.5 116.66 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.466 ' ND2' HD13 ' A' ' 31' ' ' ILE . 84.8 m-20 -92.83 125.66 37.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 41.5 mtp -131.63 114.18 14.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -84.02 123.99 30.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.4 mt -143.74 148.01 35.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -75.34 134.67 40.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.439 ' CG2' ' N ' ' A' ' 68' ' ' SER . 34.4 m -107.31 -51.44 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.439 ' N ' ' CG2' ' A' ' 67' ' ' VAL . 2.4 m -174.52 177.23 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.0 t0 49.96 36.38 11.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 52.58 29.5 7.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -119.52 175.69 5.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.7 ptm -144.92 168.03 21.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.66 169.7 17.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.8 ttm -98.56 134.34 41.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -114.77 112.55 22.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 66.0 m -90.69 113.05 25.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.4 mp -103.56 95.97 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.07 93.27 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 31.0 m -93.43 137.64 32.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.43 ' CG2' ' HB3' ' A' ' 56' ' ' LYS . 56.8 mt -139.46 123.41 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.4 mt -90.95 113.92 59.73 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.588 0.709 . . . . 0.0 110.972 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 178.29 4.74 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.391 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -90.88 26.92 1.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.497 ' CB ' ' HB3' ' A' ' 87' ' ' ALA . 4.9 mttt -126.74 -41.74 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.612 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 3.1 t80 -33.21 140.76 0.22 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.68 0.752 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.612 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.78 -9.37 11.01 Favored 'Cis proline' 0 C--N 1.342 0.221 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.335 -0.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.497 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -31.09 -70.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.403 ' O ' HG23 ' A' ' 88' ' ' VAL . 8.2 m -112.41 128.87 68.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.2 mp -42.91 158.24 0.23 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.633 0.73 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.58 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.85 -166.82 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -131.98 73.93 1.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.1 mt -80.96 136.13 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.2 m -124.61 113.52 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.191 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.9 t -91.09 119.44 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -130.71 143.46 50.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.6 t -159.46 140.55 12.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 98' ' ' LEU . 9.8 p -58.29 -30.25 39.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.471 ' N ' HG12 ' A' ' 97' ' ' VAL . 13.0 mt -69.39 -55.32 10.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.423 ' CD1' ' OE1' ' A' ' 104' ' ' GLN . 8.0 mt -70.18 150.27 46.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.413 ' HB2' ' CD ' ' A' ' 103' ' ' GLN . 3.4 m -104.72 160.84 14.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -49.26 -33.06 11.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 t -66.14 -69.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.413 ' CD ' ' HB2' ' A' ' 100' ' ' SER . 0.8 OUTLIER -58.88 -52.15 66.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.952 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.423 ' OE1' ' CD1' ' A' ' 99' ' ' LEU . 28.3 tp60 -43.69 -45.07 6.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 51.3 m -58.23 -46.0 86.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.9 tp60 -61.6 -43.82 98.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.452 HD13 ' CD2' ' A' ' 139' ' ' TYR . 9.0 tt -58.81 -53.5 57.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -50.71 -59.62 3.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 58.4 m -43.61 -35.37 1.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.47 -50.12 14.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.568 HD13 ' CE3' ' A' ' 131' ' ' TRP . 27.3 tp -45.93 -47.43 16.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.0 m -66.19 -45.89 79.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.26 -49.74 68.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.134 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.52 ' CG ' ' CD1' ' A' ' 131' ' ' TRP . 3.9 t80 -41.21 -53.53 3.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.8 mt -66.02 -47.52 74.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -46.58 -21.63 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.406 ' HG3' ' CD2' ' A' ' 118' ' ' HIS . 13.8 tppt? -95.74 -64.71 1.03 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.406 ' CD2' ' HG3' ' A' ' 117' ' ' LYS . 30.5 m-70 -75.62 -66.55 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 62.7 m -83.56 94.42 8.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -136.88 130.88 32.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 70.7 35.62 66.86 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -154.89 -178.26 7.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.502 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 35.3 m -111.51 104.4 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 7.5 m -152.69 104.99 2.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 28.7 mm -93.75 -55.07 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mt -42.91 -44.95 4.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -39.33 -38.78 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.3 -44.62 67.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 64.8 p -59.49 -36.0 75.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -75.9 -17.24 59.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.744 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 11.8 t90 -94.13 -18.2 22.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.434 ' CG2' HD22 ' A' ' 111' ' ' LEU . 41.6 t -86.62 -57.38 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -43.3 -29.79 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -85.95 -67.82 0.78 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.744 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 28.6 m-70 -51.55 -53.12 41.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.65 -69.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.057 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 136' ' ' ALA . 74.5 p -36.02 -43.03 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -59.73 -48.74 84.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.452 ' CD2' HD13 ' A' ' 107' ' ' LEU . 82.1 m-85 -62.96 -52.5 62.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.942 0.401 . . . . 0.0 110.939 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 78.9 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.161 179.871 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -47.03 -42.99 19.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.16 -42.69 86.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' ALA . 39.1 mt-10 -64.39 -54.54 31.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . -37.65 -39.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -74.35 -63.94 1.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 15' ' ' ALA . 36.3 tp -45.92 -56.2 5.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.87 -53.61 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -60.25 -61.83 2.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.5 mt -42.75 -54.0 4.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -51.43 -42.44 61.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.5 tp -66.54 -50.82 61.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 23' ' ' MET . 43.7 mt -50.8 -61.2 2.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -37.03 -42.11 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.1 m -79.92 -39.39 30.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 20' ' ' LEU . 73.7 mmm -50.38 -45.0 55.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.492 ' CB ' ' CD ' ' A' ' 29' ' ' GLU . 55.0 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.665 0.745 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.855 0.36 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.492 ' CD ' ' CB ' ' A' ' 24' ' ' PHE . 2.4 pp20? -117.22 -38.74 3.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.438 ' CB ' ' OE1' ' A' ' 29' ' ' GLU . 1.6 tt -144.0 123.58 13.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mp -123.68 118.12 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 43.2 t -98.03 98.22 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.51 -44.97 81.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -78.32 98.56 5.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 32' ' ' VAL . 8.9 mp0 -88.78 -36.65 15.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 tp -59.04 -40.51 85.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.95 69.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.058 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -82.19 -54.06 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.84 -43.88 39.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -68.18 -42.86 79.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.8 tp -56.36 -45.7 80.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -57.07 -51.06 70.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -58.32 -56.62 19.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.3 m -38.51 -49.11 1.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 80.6 mt -59.36 -57.76 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.94 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.997 0.427 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 mttp -79.7 136.49 36.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.2 t -70.03 101.63 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -106.9 119.04 38.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -149.45 130.16 14.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 61' ' ' ILE . 96.9 m -97.69 148.5 23.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.419 ' N ' HG22 ' A' ' 60' ' ' THR . 62.8 mt -122.99 120.22 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -92.53 110.39 21.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 39.2 mtp -117.44 115.24 24.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.445 ' N ' ' SD ' ' A' ' 74' ' ' MET . 25.1 p30 -86.7 115.07 23.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.439 ' CD1' ' HA ' ' A' ' 133' ' ' ARG . 0.4 OUTLIER -140.78 162.15 36.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -82.26 145.59 29.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.47 ' HB ' ' CG1' ' A' ' 140' ' ' VAL . 3.7 m -126.87 -47.91 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -166.0 179.22 5.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.828 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 70' ' ' GLU . 19.3 m-20 45.45 43.01 8.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 69' ' ' ASP . 13.5 tt0 37.06 36.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -117.4 170.45 8.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.8 mtp -121.08 158.43 27.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.434 ' CB ' HD13 ' A' ' 98' ' ' LEU . . . -154.53 159.3 40.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.445 ' SD ' ' N ' ' A' ' 64' ' ' ASN . 1.6 tpt -96.95 151.22 19.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -126.91 131.66 51.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -96.31 112.23 24.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.2 mp -106.6 92.71 4.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.5 95.67 3.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 44.3 t -97.55 115.68 28.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 85.4 mt -113.29 125.7 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.6 mt -94.57 118.87 66.87 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.648 0.737 . . . . 0.0 110.923 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -170.56 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.322 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -99.12 24.86 7.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.485 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . 6.9 mttp -124.28 -38.6 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.638 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 3.0 t80 -33.88 140.89 0.24 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.686 0.755 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.638 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.79 -10.23 11.45 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 -1.804 . . . . 0.0 112.331 -0.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.488 ' C ' ' O ' ' A' ' 86' ' ' PRO . . . -30.56 -72.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.401 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 2.9 m -109.0 127.58 65.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 29.2 mt -46.38 158.04 0.41 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.605 0.717 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.593 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.2 Cg_endo -69.81 -173.02 0.65 Allowed 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.725 2.283 . . . . 0.0 112.311 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -125.48 62.81 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 43.2 mt -68.51 135.02 29.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.8 m -125.95 98.94 5.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.424 ' CG1' HD21 ' A' ' 107' ' ' LEU . 75.8 t -76.13 133.75 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -145.02 158.02 43.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.1 t -169.34 121.46 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.6 t -41.79 -37.57 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.434 HD13 ' CB ' ' A' ' 73' ' ' ALA . 4.7 mt -56.02 -56.58 19.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.6 mt -58.83 178.52 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 102' ' ' SER . 49.2 m -122.83 140.12 53.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 100' ' ' SER . 15.0 tpt180 -35.95 -30.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 100' ' ' SER . 4.1 m -82.48 -56.19 4.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -52.11 -58.11 7.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.457 ' OE1' ' ND2' ' A' ' 108' ' ' ASN . 4.5 tp-100 -44.87 -49.32 10.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 57.7 m -41.01 -39.9 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -72.7 -42.06 64.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.424 HD21 ' CG1' ' A' ' 94' ' ' VAL . 10.3 tt -54.64 -54.21 44.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.457 ' ND2' ' OE1' ' A' ' 104' ' ' GLN . 16.0 m-80 -53.73 -60.92 2.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 85.5 m -38.59 -35.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 111' ' ' LEU . 1.8 m-20 -82.69 -54.17 5.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.434 ' HA ' ' CZ3' ' A' ' 131' ' ' TRP . 12.6 tp -35.56 -62.44 0.4 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 113' ' ' ALA . 26.3 m -53.89 -58.4 7.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -37.13 -57.23 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.151 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.485 ' CE2' HD21 ' A' ' 115' ' ' LEU . 5.7 t80 -36.96 -52.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.485 HD21 ' CE2' ' A' ' 114' ' ' PHE . 4.1 mt -66.05 -51.95 53.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -49.07 -19.94 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -87.42 -65.0 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -86.39 -66.62 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.821 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.45 ' SG ' ' CB ' ' A' ' 124' ' ' CYS . 98.2 m -76.43 90.23 3.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -133.27 105.76 7.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 96.81 -0.42 60.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.535 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -121.38 158.59 27.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 3.5 m -82.22 95.12 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . 0.45 ' CB ' ' SG ' ' A' ' 119' ' ' CYS . 88.2 m -134.33 87.95 2.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 18.6 mm -88.05 -39.92 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.27 -47.48 85.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -39.94 -32.34 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.08 -58.86 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 77.6 p -52.27 -21.38 3.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -88.11 -33.27 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.677 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 5.2 t90 -82.88 -18.25 40.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 19.5 t -87.04 -49.85 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.439 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 15.1 ptp180 -45.49 -25.89 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -95.19 -67.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.677 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 6.1 m-70 -44.24 -45.25 8.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.825 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -42.32 -66.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.05 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 19.8 t -53.77 -17.13 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -75.2 -25.09 69.48 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -94.77 -18.51 21.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.949 0.404 . . . . 0.0 110.965 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.47 ' CG1' ' HB ' ' A' ' 67' ' ' VAL . 5.4 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.769 0.319 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 11' ' ' GLU . 1.1 tp-100 -51.73 -55.64 18.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' GLN . . . -34.95 -33.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 9' ' ' GLN . 41.1 mt-10 -75.91 -50.5 14.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . -35.23 -44.81 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -71.81 -46.61 57.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.468 ' CD1' ' HD2' ' A' ' 42' ' ' LYS . 58.6 tp -59.16 -57.05 14.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.84 -55.32 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -60.42 -60.53 3.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.0 mt -42.33 -51.57 4.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -52.86 -41.89 64.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.4 tp -68.85 -56.96 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.0 mt -41.76 -57.15 2.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.25 -41.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -78.49 -45.89 20.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 73.3 mmm -44.93 -39.1 5.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 110.891 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 . . . . . 0 C--O 1.229 0.026 0 CA-C-O 120.816 0.341 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -89.67 -57.46 2.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.4 ' C ' HD11 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -116.16 145.63 42.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.95 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.4 HD11 ' C ' ' A' ' 30' ' ' LEU . 5.3 mp -141.38 118.8 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.9 t -93.91 96.38 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -55.94 -52.35 64.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -86.32 86.59 7.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -66.81 -48.93 67.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 37' ' ' ALA . 9.8 tp -52.57 -46.72 67.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' LEU . . . -37.29 -43.89 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.054 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.5 t -76.08 -58.05 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.81 -46.37 3.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.6 -37.27 85.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 14' ' ' LEU . 15.0 tp -55.55 -37.25 67.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.468 ' HD2' ' CD1' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -73.52 -54.3 8.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.856 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -46.85 -39.42 11.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.7 m -61.89 -52.99 61.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.0 mt -62.6 -50.23 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 179.922 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.5 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.938 0.399 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -50.74 154.85 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.8 t -83.18 103.54 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -112.6 113.5 25.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.606 ' CE2' ' SG ' ' A' ' 79' ' ' CYS . 9.9 p90 -133.71 126.45 30.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.6 m -89.28 137.1 32.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.0 mt -117.36 125.13 73.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -97.57 114.29 26.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.6 mtm -118.26 108.63 15.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -80.02 129.53 34.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.64 153.74 40.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -86.28 119.67 26.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 68' ' ' SER . 33.8 m -90.87 -50.49 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.438 ' N ' ' CG2' ' A' ' 67' ' ' VAL . 2.2 m -173.75 175.97 2.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 71' ' ' LYS . 49.7 m-20 47.06 53.34 10.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' ASP . 4.2 mm-40 38.23 27.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -116.76 173.84 6.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.5 ptm -145.45 -177.82 5.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.428 ' CB ' HD13 ' A' ' 98' ' ' LEU . . . -148.96 177.68 9.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.2 ttm -116.26 108.19 15.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -91.91 135.71 33.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 56.2 m -112.5 105.58 13.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.897 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.8 mp -90.37 92.75 9.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.74 100.9 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.606 ' SG ' ' CE2' ' A' ' 59' ' ' PHE . 15.0 p -103.18 149.13 24.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 70.3 mt -140.51 110.89 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.4 mt -80.03 112.38 29.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -178.91 2.56 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.761 2.308 . . . . 0.0 112.339 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -90.27 27.04 1.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.52 ' O ' ' C ' ' A' ' 85' ' ' TYR . 1.1 mtpp -127.54 -42.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.652 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 3.2 t80 -28.27 141.34 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.68 0.752 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.652 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.6 Cg_endo -69.81 -7.94 10.32 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.325 -0.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.516 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -30.32 -72.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.6 m -110.45 128.77 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 57.0 mt -48.04 156.06 0.79 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.719 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.591 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.74 -179.85 3.19 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.257 . . . . 0.0 112.363 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -111.31 66.02 0.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.8 mt -70.95 125.79 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 89.4 m -123.18 103.73 8.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 37.5 t -76.82 131.94 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -134.38 143.04 47.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.4 t -164.66 127.31 2.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 33.3 m -52.5 -23.79 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.428 HD13 ' CB ' ' A' ' 73' ' ' ALA . 13.6 mt -73.83 -51.41 16.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 76.8 mt -63.71 135.15 56.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.6 t -82.32 171.98 13.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.9 mtp85 -55.43 -41.36 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.8 m -74.91 -64.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -42.0 -59.29 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -40.39 -52.65 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 90.1 m -47.65 -58.04 4.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -52.38 -45.34 65.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.403 ' C ' HD22 ' A' ' 107' ' ' LEU . 9.9 tt -54.27 -58.57 6.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -55.16 -60.49 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 75.4 m -40.44 -42.38 1.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.82 -55.42 11.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.46 HD21 ' CG2' ' A' ' 132' ' ' VAL . 13.7 tp -42.5 -55.52 3.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 75.7 m -56.27 -44.36 79.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -55.12 -49.4 71.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -38.89 -63.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 116' ' ' GLN . 10.3 mt -58.13 -57.41 12.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 115' ' ' LEU . 33.6 mm-40 -34.79 -36.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.942 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 115' ' ' LEU . 6.7 ttmm -96.19 -65.14 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -51.82 -62.19 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.826 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.8 m -119.23 111.98 18.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -132.16 96.99 4.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 112.13 35.21 1.84 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.535 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -157.89 171.96 19.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.469 ' O ' ' CG2' ' A' ' 123' ' ' VAL . 34.0 m -99.89 94.4 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . 0.415 ' HB3' ' CG ' ' A' ' 127' ' ' ASN . 64.0 m -134.79 56.58 1.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.458 ' CD1' ' HG3' ' A' ' 90' ' ' PRO . 31.3 mm -57.73 -43.34 83.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.6 mt -52.8 -40.02 62.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.415 ' CG ' ' HB3' ' A' ' 124' ' ' CYS . 2.1 m-20 -55.63 -35.19 65.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.64 -52.22 40.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 69.0 p -58.81 -33.61 70.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.156 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -69.48 -17.68 63.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.661 ' CZ2' ' CE1' ' A' ' 135' ' ' HIS . 12.4 t90 -90.66 -26.05 19.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.46 ' CG2' HD21 ' A' ' 111' ' ' LEU . 70.9 t -84.97 -51.91 13.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 134' ' ' GLU . 22.3 ptt180 -38.5 -32.12 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 133' ' ' ARG . 49.5 tp10 -94.37 -67.58 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.661 ' CE1' ' CZ2' ' A' ' 131' ' ' TRP . 18.1 m-70 -43.51 -50.72 7.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -34.13 -69.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.3 m -43.97 -37.1 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -58.07 -54.6 36.23 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -59.25 -48.38 81.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.932 0.396 . . . . 0.0 110.946 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 60.4 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 179.893 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.769 0.319 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -71.95 -41.58 67.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.84 75.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -75.13 -42.72 55.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.49 -44.3 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -71.84 -57.73 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 15' ' ' ALA . 46.8 tp -44.59 -51.19 9.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.26 -58.99 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 19' ' ' LEU . 6.6 tp10 -57.43 -64.71 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' GLU . 83.9 mt -37.56 -40.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -65.25 -48.18 74.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 16' ' ' GLU . 9.9 tp -60.19 -54.78 41.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' MET . 66.5 mt -47.93 -64.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.05 -44.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.11 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.1 m -71.02 -45.72 63.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 20' ' ' LEU . 83.8 mmm -56.68 -37.68 71.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.475 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 1.5 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.644 0.735 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.774 0.321 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -95.48 -59.03 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.455 ' HB3' ' CB ' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -139.62 135.94 33.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.401 HG21 ' N ' ' A' ' 32' ' ' VAL . 5.2 mp -135.09 132.67 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.401 ' N ' HG21 ' A' ' 31' ' ' ILE . 1.4 p -111.45 126.42 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -86.84 -42.15 13.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -96.32 86.82 4.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.22 -40.1 68.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mt -46.1 -52.45 12.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -37.67 -46.24 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 88.0 t -67.22 -56.16 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.65 -58.66 6.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -52.66 -40.73 63.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.4 tp -62.87 -41.92 99.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -64.07 -57.29 10.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -45.12 -42.31 8.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.4 t -55.32 -44.18 75.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.7 mt -76.64 -51.14 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.6 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.928 0.394 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -63.0 139.93 58.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 67.5 t -65.39 95.64 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -100.55 114.58 28.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -147.16 126.66 13.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 83.9 m -96.69 148.18 23.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.5 mt -121.85 126.2 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -96.43 133.7 40.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 16.4 mtm -144.52 110.81 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 34.7 p30 -82.74 130.25 35.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' A' ' 133' ' ' ARG . 0.5 OUTLIER -142.54 149.77 39.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.85 121.83 24.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.438 HG22 ' N ' ' A' ' 68' ' ' SER . 27.5 m -100.51 -48.85 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.438 ' N ' HG22 ' A' ' 67' ' ' VAL . 1.2 t -170.59 175.57 4.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.7 m-20 45.08 53.28 7.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' ASP . 3.7 pt-20 36.95 29.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -118.85 171.39 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.2 ptm -145.31 165.08 29.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -138.83 161.95 36.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.7 ttm -94.75 123.74 38.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -104.46 111.77 24.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.5 m -85.04 116.31 23.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 mp -102.88 94.11 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.34 98.13 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 41.9 t -98.47 139.32 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 89.9 mt -134.79 111.08 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.14 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.6 mt -91.3 113.0 56.96 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.545 0.688 . . . . 0.0 110.957 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -173.32 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.649 2.233 . . . . 0.0 112.387 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -87.24 -10.47 52.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.535 ' O ' ' C ' ' A' ' 85' ' ' TYR . 1.2 mmpt? -80.42 -50.24 10.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.625 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.0 t80 -26.41 141.23 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.638 0.732 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.625 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.5 Cg_endo -69.75 -13.01 12.34 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.315 -0.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 86' ' ' PRO . . . -32.38 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.482 HG13 ' CB ' ' A' ' 84' ' ' LYS . 2.9 m -101.39 126.77 55.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.4 mt -51.68 157.26 1.96 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.597 0.713 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.594 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.73 -167.67 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.745 2.297 . . . . 0.0 112.32 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -129.48 70.85 1.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 29.0 mt -77.97 126.67 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 25.8 m -122.34 105.41 10.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.412 ' O ' ' CD ' ' A' ' 104' ' ' GLN . 33.2 t -73.83 127.29 35.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.01 149.61 43.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.5 t -167.53 133.43 2.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 34.8 m -64.56 -22.8 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 14.0 mt -77.2 -43.99 31.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 42.3 mt -64.53 144.08 57.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.4 p -91.93 168.9 11.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -56.61 -23.65 42.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.7 t -88.91 -63.67 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 104' ' ' GLN . 0.6 OUTLIER -45.4 -61.56 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.459 ' HA ' ' NE2' ' A' ' 104' ' ' GLN . 4.7 tp60 -35.83 -53.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 37.3 m -48.67 -66.31 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 17.0 tp60 -47.55 -47.5 28.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.463 ' HA ' ' CZ ' ' A' ' 139' ' ' TYR . 10.5 tt -48.54 -57.25 6.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -61.9 -43.3 99.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 57.8 m -42.98 -42.32 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -79.03 -44.75 21.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 13.5 tp -41.61 -38.58 1.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 98.2 m -74.69 -39.99 61.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -55.07 -60.79 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.428 ' CE2' ' ND2' ' A' ' 127' ' ' ASN . 25.6 t80 -37.28 -62.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 21.5 mt -53.92 -56.46 17.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -41.81 -27.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -95.79 -65.05 1.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -64.99 -64.29 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.844 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 6.3 t -88.48 99.31 12.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -138.74 108.98 6.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 97.32 -19.97 52.63 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.04 170.99 7.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 0.0 110.839 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.568 HG13 ' CE2' ' A' ' 85' ' ' TYR . 35.1 m -99.9 99.78 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 23.7 m -135.02 96.94 3.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 39.8 mm -94.48 -31.56 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.184 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.36 -30.29 71.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.428 ' ND2' ' CE2' ' A' ' 114' ' ' PHE . 7.6 t30 -62.34 -21.14 65.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.78 -50.96 8.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 63.8 p -59.26 -35.91 74.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -72.5 -17.84 61.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.742 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 14.3 t90 -92.78 -30.93 15.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 134' ' ' GLU . 40.8 t -80.62 -52.46 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.444 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 1.9 ptm85 -36.61 -29.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 132' ' ' VAL . 34.3 tt0 -95.02 -53.62 3.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.742 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 19.1 m-70 -58.89 -54.68 44.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.35 -68.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.1 t -51.79 -41.71 61.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -51.64 -41.32 49.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.463 ' CZ ' ' HA ' ' A' ' 107' ' ' LEU . 71.3 m-85 -69.16 -45.73 69.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.947 0.403 . . . . 0.0 110.915 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 52.6 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.895 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.775 0.321 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -41.77 -52.18 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.7 -51.59 66.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.78 -31.7 68.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.36 -48.65 62.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -64.45 -62.32 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.6 tp -46.13 -40.25 10.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.71 -65.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -54.64 -39.2 67.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 26.3 mt -55.71 -40.55 72.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -70.36 -41.77 72.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.479 ' CD2' ' CG ' ' A' ' 23' ' ' MET . 2.5 tt -62.84 -57.93 9.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mt -44.28 -57.17 3.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.04 -42.66 2.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 m -77.16 -42.65 36.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.479 ' CG ' ' CD2' ' A' ' 19' ' ' LEU . 89.9 mmm -53.77 -31.5 48.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.624 0.726 . . . . 0.0 110.916 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.789 0.328 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -104.86 -46.29 4.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.01 129.96 32.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 32' ' ' VAL . 4.3 mp -127.55 135.17 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.449 ' N ' HG22 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -111.47 114.39 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -75.26 -48.39 23.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -93.23 97.38 10.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -87.37 -45.78 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tp -44.92 -53.23 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -37.44 -52.44 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.5 t -63.25 -52.06 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -42.35 -46.12 4.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -61.5 -38.79 88.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.11 -47.31 85.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.61 -55.97 27.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -51.51 -41.01 60.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 97.7 m -56.63 -54.64 43.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.0 mt -60.42 -51.82 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.909 0.385 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.447 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 19.0 mtmt -70.27 138.41 51.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.9 t -68.66 95.47 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -94.8 110.98 22.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -140.96 129.29 22.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 42.8 m -93.95 146.29 24.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.158 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.4 mt -120.54 116.58 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -89.09 124.14 34.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 10.3 mtm -134.45 118.57 17.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.449 ' ND2' ' HB2' ' A' ' 72' ' ' MET . 0.1 OUTLIER -93.97 127.82 39.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.442 ' N ' HD21 ' A' ' 64' ' ' ASN . 0.6 OUTLIER -137.0 157.21 47.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.84 136.77 32.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.402 HG23 ' CD2' ' A' ' 98' ' ' LEU . 1.3 m -114.17 -47.11 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.1 p -174.94 -177.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' LYS . 7.2 m-20 47.06 47.52 15.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 38.85 27.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 69' ' ' ASP . 7.4 mtmt -116.85 179.8 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.449 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 8.1 ptm -151.34 156.84 41.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.12 167.34 14.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.401 ' SD ' ' N ' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -107.69 121.92 45.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.401 ' N ' ' SD ' ' A' ' 74' ' ' MET . 4.2 m-85 -102.38 145.95 28.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 75.1 m -113.14 122.14 46.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 mp -109.62 94.51 5.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.98 103.28 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 46.4 t -103.87 142.64 34.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.2 mt -138.99 113.11 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.154 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.3 mt -85.54 115.74 62.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.597 0.713 . . . . 0.0 110.922 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -173.81 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.359 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.447 ' CE1' ' HG3' ' A' ' 56' ' ' LYS . 1.3 m-85 -86.31 -7.87 58.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.499 ' O ' ' C ' ' A' ' 85' ' ' TYR . 6.9 mttp -88.61 -46.01 9.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.684 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -29.96 141.06 0.11 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.679 0.752 . . . . 0.0 110.925 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.684 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.6 Cg_endo -69.77 -6.05 9.22 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.335 -0.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.483 ' HB2' ' CB ' ' A' ' 84' ' ' LYS . . . -35.81 -76.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.464 HG12 ' CD ' ' A' ' 84' ' ' LYS . 3.2 m -99.99 128.3 52.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.191 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.8 mt -43.55 159.1 0.23 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.56 0.695 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.623 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.72 -169.07 0.3 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.669 2.246 . . . . 0.0 112.355 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -128.16 66.6 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.452 HG23 ' N ' ' A' ' 93' ' ' THR . 16.2 mt -72.1 146.59 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.467 HG23 ' CZ ' ' A' ' 95' ' ' ARG . 11.1 m -142.93 104.97 4.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.1 t -77.6 127.87 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.467 ' CZ ' HG23 ' A' ' 93' ' ' THR . 0.2 OUTLIER -123.47 145.45 48.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 t -175.07 137.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.824 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.468 HG11 ' N ' ' A' ' 98' ' ' LEU . 7.9 p -74.43 -22.93 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.089 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.468 ' N ' HG11 ' A' ' 97' ' ' VAL . 5.9 mp -65.07 -44.06 90.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.7 mt -70.58 140.19 51.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.3 t -72.02 176.04 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.4 mtm-85 -58.51 -37.43 75.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.8 t -92.98 -50.64 5.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -49.95 -25.29 3.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -72.18 -72.11 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.8 t -44.78 -29.51 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -64.03 -41.21 97.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.25 -34.42 74.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -73.85 -56.56 4.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.0 m -44.99 -34.05 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 111' ' ' LEU . 4.3 t70 -80.86 -52.79 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 110' ' ' ASP . 4.7 tp -35.12 -57.47 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 84.2 m -59.87 -49.91 75.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.176 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -45.2 -57.52 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.587 ' O ' ' CD2' ' A' ' 118' ' ' HIS . 31.8 t80 -34.34 -51.33 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.6 mt -67.28 -54.62 19.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -48.45 -21.39 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.72 -65.6 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 114' ' ' PHE . 4.3 p80 -103.89 -63.69 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.445 ' H ' ' CG ' ' A' ' 118' ' ' HIS . 87.0 m -70.72 96.34 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -155.9 105.94 2.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 138.71 -30.93 2.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.17 168.8 11.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.358 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 85' ' ' TYR . 27.1 m -64.45 102.67 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 25.8 p -126.22 80.69 1.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.9 mm -90.97 -57.14 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 129' ' ' THR . 12.4 mt -50.49 -53.52 29.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -38.32 -31.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 126' ' ' LEU . . . -78.03 -42.68 31.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 126' ' ' LEU . 23.1 p -65.54 -44.96 85.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -63.5 -15.49 58.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.73 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 14.7 t90 -94.48 -26.44 16.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 136' ' ' ALA . 18.2 t -80.05 -46.18 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.427 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 8.4 ptm180 -55.38 -28.91 57.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -87.65 -64.62 1.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.73 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 15.6 m-70 -53.37 -46.65 69.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 132' ' ' VAL . . . -33.8 -71.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 10.1 p -42.44 -39.89 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -57.29 -49.07 75.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.494 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -63.81 -48.51 76.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.922 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.4 pm0 . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.773 0.32 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -66.92 -42.19 85.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.16 -33.2 73.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' ALA . 33.8 mt-10 -78.22 -48.09 16.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . -36.62 -47.64 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 82' ' ' PRO . 51.6 mt-30 -67.06 -62.33 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 15' ' ' ALA . 38.4 tp -46.99 -59.4 3.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -36.24 -56.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -59.34 -50.89 72.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.7 mt -44.89 -56.69 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -49.88 -47.93 51.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.51 -56.3 18.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 23' ' ' MET . 22.9 mt -47.43 -61.6 1.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.989 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.97 -40.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -74.33 -42.66 59.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' LEU . 92.0 mmm -60.03 -46.96 87.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.636 0.731 . . . . 0.0 110.863 -179.923 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 p30 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.766 0.317 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.54 -43.15 35.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tt -143.43 137.57 28.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.61 116.94 25.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.6 t -96.54 93.88 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -65.51 -53.52 41.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.61 80.92 3.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -76.74 -46.53 24.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 tt -44.44 -52.16 8.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -38.28 -52.88 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.079 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.6 t -58.79 -54.6 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -45.89 -46.94 16.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -65.87 -51.25 60.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.4 tp -43.5 -58.71 2.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -43.38 -39.46 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.952 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -69.66 -38.81 77.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 21.9 m -54.98 -43.06 73.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.404 ' CD1' HD23 ' A' ' 14' ' ' LEU . 40.3 mt -73.98 -52.43 20.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.91 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.4 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.932 0.396 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -78.06 110.97 13.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.5 t -55.95 97.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -100.16 120.49 39.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -150.71 120.02 6.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.3 m -89.98 145.66 24.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.5 mt -119.99 127.33 75.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.43 ' HB3' ' CE ' ' A' ' 74' ' ' MET . 83.3 m-20 -104.22 120.45 41.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.0 mtm -123.42 113.0 18.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -84.83 127.8 34.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -144.77 147.29 32.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -75.68 137.92 40.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.4 m -116.36 -47.48 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 78.6 p -174.2 -178.99 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 71' ' ' LYS . 3.4 t0 43.67 53.07 6.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' ASP . 8.0 tt0 35.44 32.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 69' ' ' ASP . 19.6 mtpp -122.92 177.67 5.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.4 ptm -147.2 156.35 42.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -127.06 161.58 28.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.43 ' CE ' ' HB3' ' A' ' 62' ' ' ASN . 2.2 tpt -101.74 131.19 48.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.428 ' CE2' ' HB2' ' A' ' 136' ' ' ALA . 7.2 m-85 -111.93 109.09 18.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 91.1 p -84.55 119.44 25.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.7 mp -107.81 93.01 4.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.97 97.08 1.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.0 m -96.43 141.94 29.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 81.2 mt -138.42 115.81 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.1 mt -88.33 110.01 33.05 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.577 0.703 . . . . 0.0 110.943 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.414 ' O ' ' NE2' ' A' ' 13' ' ' GLN . 53.4 Cg_endo -69.71 -174.83 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.242 . . . . 0.0 112.345 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -95.68 26.01 4.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.49 ' O ' ' C ' ' A' ' 85' ' ' TYR . 0.6 OUTLIER -121.48 -42.74 2.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.616 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.4 t80 -31.14 140.53 0.15 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.655 0.74 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.616 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.7 Cg_endo -69.71 -9.51 10.95 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.379 -0.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.481 ' HB1' ' CB ' ' A' ' 84' ' ' LYS . . . -31.71 -74.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.448 ' CG1' ' HD3' ' A' ' 84' ' ' LYS . 3.1 m -106.29 127.45 61.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 mp -50.5 157.08 1.33 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.578 0.704 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.587 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.7 Cg_endo -69.82 172.9 11.85 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.251 . . . . 0.0 112.357 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -111.77 77.85 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 39.9 mt -83.5 138.01 19.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.1 m -132.75 114.34 14.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.3 t -89.13 135.18 26.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -134.34 143.17 47.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.6 t -158.67 126.17 5.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.472 ' CG2' HD22 ' A' ' 98' ' ' LEU . 5.6 m -67.15 -14.91 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.146 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.472 HD22 ' CG2' ' A' ' 97' ' ' VAL . 2.0 mm? -84.39 -27.84 27.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.9 mt -76.44 -178.59 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 101' ' ' ARG . 17.1 t -123.76 143.75 50.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -35.9 -39.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.89 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -73.51 -61.14 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 139' ' ' TYR . 37.0 mt-30 -51.23 -59.39 4.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -40.52 -61.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 85.1 m -45.31 -60.98 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -45.49 -50.09 13.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.404 HD22 ' C ' ' A' ' 107' ' ' LEU . 10.1 tt -52.36 -51.93 56.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -55.71 -64.0 0.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 78.2 m -39.67 -48.16 2.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 111' ' ' LEU . 15.0 m-20 -65.88 -55.88 14.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 110' ' ' ASP . 29.5 tp -34.5 -56.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 93.9 m -55.92 -50.91 69.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -50.33 -57.07 8.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 113' ' ' ALA . 2.8 t80 -34.39 -47.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 15.3 mt -70.42 -54.8 10.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -46.78 -22.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.547 ' HG3' ' CD2' ' A' ' 118' ' ' HIS . 0.2 OUTLIER -81.69 -65.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.547 ' CD2' ' HG3' ' A' ' 117' ' ' LYS . 68.7 m-70 -87.26 -60.74 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.2 t -77.51 98.72 5.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -141.16 122.75 15.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 74.37 28.66 63.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -143.25 -176.25 4.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.414 ' O ' ' CG2' ' A' ' 123' ' ' VAL . 27.7 m -116.72 94.38 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 3.9 m -142.5 105.11 4.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 34.0 mm -95.82 -51.97 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 127' ' ' ASN . 54.9 mt -41.8 -55.74 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 126' ' ' LEU . 5.5 m120 -37.53 -45.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.48 -60.92 2.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 69.4 p -45.42 -41.8 9.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -62.98 -57.52 10.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.517 ' CE3' ' O ' ' A' ' 131' ' ' TRP . 16.5 t90 -52.35 -16.63 0.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.401 HG21 ' CD1' ' A' ' 111' ' ' LEU . 20.0 t -90.78 -46.17 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.505 ' O ' ' NE ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -59.22 -17.76 30.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -94.4 -47.22 6.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.443 ' O ' ' C ' ' A' ' 136' ' ' ALA . 3.7 m-70 -72.66 -53.05 12.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -34.06 -65.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.4 p -38.96 -45.68 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.806 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -62.8 -41.91 99.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.476 ' O ' ' NE2' ' A' ' 103' ' ' GLN . 40.9 m-85 -60.95 -48.05 83.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.963 0.411 . . . . 0.0 110.892 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 46.7 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.177 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.808 0.337 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -42.32 -42.23 3.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.27 -48.13 79.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -66.01 -39.61 90.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.02 -50.89 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -74.01 -46.71 41.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.471 HD23 ' CD1' ' A' ' 45' ' ' ILE . 44.5 tp -53.11 -64.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.96 -52.85 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -54.14 -53.03 58.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.413 ' CD2' HG13 ' A' ' 57' ' ' VAL . 86.2 mt -55.0 -51.84 65.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' A' ' 18' ' ' ASP . 7.2 t0 -55.55 -48.33 74.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' LEU . 4.4 tt -56.41 -64.14 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 19' ' ' LEU . 29.0 mt -35.41 -52.58 0.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.94 -46.96 5.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.091 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 93.4 p -67.57 -44.33 78.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.451 ' HE3' ' CD2' ' A' ' 126' ' ' LEU . 41.4 mmm -57.16 -37.67 72.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.571 0.7 . . . . 0.0 110.896 -179.934 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.836 0.35 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -104.8 -39.31 6.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.405 ' C ' HD12 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -141.01 144.81 35.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.415 HD13 ' ND2' ' A' ' 62' ' ' ASN . 5.3 mp -142.61 119.99 6.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.3 t -96.49 95.51 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -63.35 -51.2 66.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.93 117.24 13.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -110.22 -35.71 6.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.4 tp -54.59 -66.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -38.88 -46.36 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.6 t -67.21 -47.67 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.34 -51.3 62.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -64.53 -51.1 64.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.2 tp -46.6 -55.6 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -60.88 -49.0 79.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -52.89 -38.35 61.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.0 m -59.16 -57.85 11.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.471 ' CD1' HD23 ' A' ' 14' ' ' LEU . 20.7 mt -47.26 -54.81 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.926 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.925 0.393 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.3 mttm -81.84 133.06 35.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.413 HG13 ' CD2' ' A' ' 17' ' ' LEU . 98.9 t -61.5 108.76 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -109.32 125.08 51.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 79' ' ' CYS . 7.1 p90 -153.36 118.61 5.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.4 m -90.28 141.35 28.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.4 mt -117.28 125.06 73.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.415 ' ND2' HD13 ' A' ' 31' ' ' ILE . 83.2 m-20 -98.84 114.36 26.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 51.1 mtp -115.74 129.39 56.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -97.09 122.6 40.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 mt -145.46 159.3 43.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.32 128.59 35.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.456 HG22 ' N ' ' A' ' 68' ' ' SER . 30.6 m -103.74 -48.59 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.456 ' N ' HG22 ' A' ' 67' ' ' VAL . 1.3 t -174.67 175.98 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' LYS . 3.7 m-20 47.4 48.28 16.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 40.27 26.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' ASP . 19.6 mtmm -112.47 165.52 12.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.7 mtp -124.3 -174.29 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.403 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -165.83 170.22 14.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 54.5 mtp -106.27 123.77 48.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -101.07 105.07 16.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.808 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.6 m -82.23 120.09 24.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.4 mp -113.79 93.32 4.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.34 95.39 2.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.433 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 36.5 t -93.93 128.41 40.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 75.0 mt -128.43 109.15 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.1 mt -82.55 119.77 75.33 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.622 0.725 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -173.36 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.739 2.292 . . . . 0.0 112.328 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -89.74 3.9 51.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.53 ' O ' ' C ' ' A' ' 85' ' ' TYR . 13.7 mmtp -100.4 -47.24 4.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.671 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.2 t80 -27.46 141.26 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.655 0.741 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.671 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.6 Cg_endo -69.74 -7.12 9.76 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.362 -0.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.48 ' HB3' ' C ' ' A' ' 84' ' ' LYS . . . -35.42 -76.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.8 m -101.99 130.6 51.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.43 ' CD1' ' HB3' ' A' ' 115' ' ' LEU . 0.9 OUTLIER -45.12 158.07 0.31 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.727 . . . . 0.0 110.881 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.595 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.6 Cg_endo -69.82 -165.06 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.667 2.244 . . . . 0.0 112.296 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -133.12 67.91 1.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.2 mt -75.75 122.17 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.5 m -112.3 100.07 8.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.0 t -73.38 130.02 35.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 78.2 mtt-85 -138.12 141.45 40.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.1 t -152.65 139.0 18.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.4 t -61.99 -37.91 79.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.403 HD11 ' CB ' ' A' ' 73' ' ' ALA . 15.2 mt -67.34 -52.61 38.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 41.8 mt -53.85 169.2 0.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.2 t -111.92 138.76 48.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.1 ttt-85 -38.12 -40.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.6 m -73.89 -54.93 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 104' ' ' GLN . 14.9 mm100 -54.74 -64.76 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 103' ' ' GLN . 4.5 tp60 -34.92 -49.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 49.2 m -45.5 -63.37 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.15 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -42.93 -47.33 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.477 HD13 ' CD2' ' A' ' 139' ' ' TYR . 9.1 tt -57.11 -39.6 75.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -64.27 -65.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 91.6 m -41.86 -38.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -76.7 -47.38 22.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.494 HD13 ' CE3' ' A' ' 131' ' ' TRP . 8.7 tp -48.36 -59.62 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.453 HG21 ' NE2' ' A' ' 116' ' ' GLN . 12.0 m -54.5 -61.28 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 112' ' ' THR . . . -35.19 -57.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.061 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.432 ' CE2' ' CE1' ' A' ' 118' ' ' HIS . 12.6 t80 -38.2 -49.49 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.43 ' HB3' ' CD1' ' A' ' 89' ' ' LEU . 17.3 mt -66.91 -54.67 19.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.453 ' NE2' HG21 ' A' ' 112' ' ' THR . 9.1 mt-30 -45.88 -33.26 3.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.467 ' N ' ' HE2' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -87.9 -64.08 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.432 ' CE1' ' CE2' ' A' ' 114' ' ' PHE . 11.3 m-70 -52.45 -66.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 3.6 t -106.69 111.82 24.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -133.75 85.28 2.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 144.6 -26.31 1.96 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.5 -176.65 2.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.825 0.345 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 2.8 m -102.21 111.12 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . 0.497 ' SG ' ' ND2' ' A' ' 127' ' ' ASN . 1.8 t -134.86 88.52 2.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 40.7 mm -89.4 -45.02 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.451 ' CD2' ' HE3' ' A' ' 23' ' ' MET . 11.9 mt -51.65 -59.71 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.497 ' ND2' ' SG ' ' A' ' 124' ' ' CYS . 2.1 m-80 -35.9 -37.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.58 -50.39 58.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 126' ' ' LEU . 74.7 p -60.87 -33.08 72.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -78.66 -17.23 56.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.688 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 11.2 t90 -89.64 -18.07 27.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 134' ' ' GLU . 17.8 t -89.68 -56.64 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.146 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.7 -24.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 132' ' ' VAL . 5.3 tm-20 -94.57 -58.07 2.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.688 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 18.9 m-70 -56.99 -52.73 64.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.89 -66.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 136' ' ' ALA . 84.3 p -36.02 -45.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -59.3 -57.46 19.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.477 ' CD2' HD13 ' A' ' 107' ' ' LEU . 81.1 m-85 -55.72 -52.16 64.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.945 0.403 . . . . 0.0 110.885 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 58.7 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 179.891 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.759 0.314 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -40.34 -46.33 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.66 -42.7 62.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -64.01 -50.04 70.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -39.88 -62.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.067 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -51.01 -54.6 23.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 15' ' ' ALA . 26.9 tp -52.12 -66.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.71 -46.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.483 ' OE1' ' CD1' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -58.34 -52.27 66.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.5 mt -47.77 -53.66 14.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -49.95 -48.46 51.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 tt -51.49 -55.02 21.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 23' ' ' MET . 70.2 mt -53.51 -65.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -35.34 -36.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.2 m -78.58 -42.36 29.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 20' ' ' LEU . 60.6 mmm -63.23 -42.2 99.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.427 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 4.9 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.684 0.754 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 . . . . . 0 CA--C 1.526 0.052 0 CA-C-O 120.836 0.35 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -44.85 -40.11 5.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tt -144.6 145.14 31.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.7 mp -142.38 118.25 5.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.2 t -98.9 96.42 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -66.14 -54.67 22.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -73.4 91.24 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -83.28 -45.62 13.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.4 ' C ' HD11 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -49.09 -50.91 34.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.16 -42.86 3.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 81.3 t -70.67 -57.68 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -43.26 -48.03 6.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.28 -43.58 92.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.8 tp -58.68 -40.94 84.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -66.67 -62.07 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -43.14 -40.89 3.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.8 m -57.17 -54.91 41.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.2 mt -64.76 -50.02 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.938 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.961 0.41 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.434 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 20.8 mttp -84.81 127.78 34.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.937 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.3 t -65.98 112.12 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -115.57 127.88 55.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -155.75 118.6 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.3 m -89.8 143.96 26.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 75.3 mt -117.05 128.84 74.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.434 ' HB3' ' CE ' ' A' ' 74' ' ' MET . 82.6 m-20 -100.46 113.71 26.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.3 mtp -117.33 111.51 19.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -84.35 107.62 16.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.429 HD11 ' CB ' ' A' ' 133' ' ' ARG . 1.7 mt -134.47 162.44 32.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -73.76 141.38 46.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.421 ' CG2' ' N ' ' A' ' 68' ' ' SER . 29.9 m -116.07 -53.07 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.421 ' N ' ' CG2' ' A' ' 67' ' ' VAL . 1.8 m -175.34 175.7 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.508 ' OD1' ' CG ' ' A' ' 71' ' ' LYS . 1.1 p30 52.08 25.03 2.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 62.01 28.17 17.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.508 ' CG ' ' OD1' ' A' ' 69' ' ' ASP . 0.7 OUTLIER -116.27 156.52 26.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.9 mtp -112.11 164.96 12.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.406 ' CB ' HD13 ' A' ' 98' ' ' LEU . . . -158.03 155.92 30.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.434 ' CE ' ' HB3' ' A' ' 62' ' ' ASN . 51.5 ttm -84.76 144.45 28.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -119.25 114.18 22.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.5 m -85.03 118.78 24.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.2 mp -114.27 92.9 4.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.33 95.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 16.2 m -96.85 113.34 24.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 65.6 mt -115.4 110.47 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 34.2 mt -82.84 118.34 71.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.606 0.717 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -175.38 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.629 2.219 . . . . 0.0 112.314 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.434 ' CE2' ' HG3' ' A' ' 56' ' ' LYS . 72.8 m-85 -95.56 26.42 3.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.496 ' O ' ' C ' ' A' ' 85' ' ' TYR . 8.1 mttt -125.21 -41.51 2.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.636 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 3.0 t80 -30.76 141.35 0.13 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.696 0.76 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.636 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.5 Cg_endo -69.77 -8.75 10.7 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.353 -0.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.481 ' C ' ' O ' ' A' ' 86' ' ' PRO . . . -30.79 -73.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.0 m -109.58 129.0 65.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' A' ' 115' ' ' LEU . 7.4 mp -46.8 156.58 0.52 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.59 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.2 Cg_endo -69.71 -176.75 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.364 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -116.88 58.56 0.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.7 mt -66.24 124.64 21.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.3 m -121.5 101.95 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 50.4 t -75.42 115.07 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.164 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -124.47 132.57 53.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 97' ' ' VAL . 33.0 t -144.67 112.08 6.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' SER . 27.1 m -35.06 -35.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.072 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 96' ' ' SER . 27.7 mt -62.04 -56.43 19.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.415 HD13 ' NE2' ' A' ' 104' ' ' GLN . 5.8 mt -70.96 144.71 50.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 102' ' ' SER . 11.4 t -97.1 150.53 20.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.458 ' CZ ' ' HB2' ' A' ' 101' ' ' ARG . 20.9 mtm105 -42.76 -23.75 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 100' ' ' SER . 1.9 t -71.92 -54.8 8.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.419 ' CG ' ' H ' ' A' ' 100' ' ' SER . 0.7 OUTLIER -77.98 -47.2 19.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.43 ' HA ' ' NE2' ' A' ' 104' ' ' GLN . 6.3 tp60 -43.15 -62.57 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.4 t -43.55 -36.6 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -61.89 -49.91 74.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 5.5 tt -61.04 -34.5 74.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -69.72 -58.09 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.4 m -43.43 -25.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 111' ' ' LEU . 47.3 t0 -93.69 -54.95 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 110' ' ' ASP . 12.8 tp -36.12 -44.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.7 m -69.44 -48.55 60.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.01 -41.23 59.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.401 ' CE1' ' CG ' ' A' ' 118' ' ' HIS . 4.1 t80 -47.4 -57.37 5.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.464 ' HB2' ' CD2' ' A' ' 89' ' ' LEU . 18.3 mt -63.23 -48.84 76.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -39.13 -38.15 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -93.92 -62.5 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.401 ' CG ' ' CE1' ' A' ' 114' ' ' PHE . 27.3 m-70 -52.14 -60.0 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.793 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 37.1 t -117.5 106.14 12.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -130.19 84.5 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 124.9 30.93 0.91 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.451 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -156.54 178.55 10.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.474 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 35.0 m -100.6 98.4 6.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.63 95.84 3.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.836 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 49.6 mm -96.06 -38.86 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 128' ' ' ALA . 9.1 mt -58.6 -57.71 11.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 126' ' ' LEU . 3.8 m-20 -35.15 -32.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 126' ' ' LEU . . . -69.45 -58.86 3.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 72.3 p -51.29 -38.96 55.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.53 -21.66 64.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.699 ' CZ2' ' CE1' ' A' ' 135' ' ' HIS . 34.5 t90 -87.45 -20.2 26.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 134' ' ' GLU . 81.5 t -82.37 -62.3 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.429 ' CB ' HD11 ' A' ' 65' ' ' LEU . 33.8 ptt180 -37.65 -28.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 132' ' ' VAL . 41.1 tt0 -87.13 -64.19 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.699 ' CE1' ' CZ2' ' A' ' 131' ' ' TRP . 8.2 m-70 -55.41 -52.74 62.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -38.06 -66.77 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 91.3 p -46.2 -29.65 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -70.9 -43.51 58.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.517 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -67.19 -31.36 71.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.941 0.4 . . . . 0.0 110.935 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.784 0.326 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -65.75 -46.18 79.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.77 -38.96 76.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 12' ' ' ALA . 37.5 mt-10 -70.98 -51.9 22.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . -36.31 -65.54 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -49.87 -52.4 33.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.414 HD21 ' CD1' ' A' ' 45' ' ' ILE . 47.4 tp -49.24 -64.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -36.22 -45.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -63.16 -59.31 4.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.5 mt -48.35 -53.37 17.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -50.06 -41.19 47.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.8 tp -67.68 -51.33 50.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.9 mt -50.97 -60.3 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -37.13 -39.92 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t -79.92 -43.23 22.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 95.9 mmm -52.71 -16.08 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 110.907 -179.922 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.6 p30 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.815 0.34 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -102.09 -52.77 3.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.28 140.01 53.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.2 mp -134.4 118.02 25.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.414 ' CG1' ' HA ' ' A' ' 35' ' ' GLN . 55.8 t -91.41 94.31 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -49.15 -59.82 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -83.04 48.21 1.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.414 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -41.99 -42.94 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 37' ' ' ALA . 5.2 tp -52.19 -47.28 65.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 36' ' ' LEU . . . -37.28 -53.82 1.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.6 t -57.74 -45.78 86.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.092 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.2 -51.08 57.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -58.39 -55.21 37.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.6 tp -49.74 -40.26 40.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -64.38 -47.54 78.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -62.66 -35.93 81.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 7.5 m -60.17 -48.68 80.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.414 ' CD1' HD21 ' A' ' 14' ' ' LEU . 58.1 mt -61.72 -60.24 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.919 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.966 0.412 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -82.89 135.89 34.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.0 t -66.7 99.4 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.092 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -105.56 119.37 38.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -141.01 134.94 30.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 54.7 m -106.29 132.51 52.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 58.3 mt -106.43 130.35 58.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -101.66 114.96 29.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.402 ' HE2' ' NH2' ' A' ' 133' ' ' ARG . 70.3 mtp -120.44 123.97 44.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 64' ' ' ASN . 0.6 OUTLIER -98.91 114.29 26.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.437 ' CD1' ' HA ' ' A' ' 133' ' ' ARG . 0.5 OUTLIER -128.87 145.79 51.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.03 127.25 32.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.448 ' CG2' ' N ' ' A' ' 68' ' ' SER . 33.6 m -99.94 -50.88 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.448 ' N ' ' CG2' ' A' ' 67' ' ' VAL . 1.8 m -173.13 174.88 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 47.5 50.54 14.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 41.02 30.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -123.84 162.8 22.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.6 ptm -134.13 171.37 14.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -138.78 165.54 26.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.2 tpt -93.94 118.73 31.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.412 ' CE2' HD13 ' A' ' 99' ' ' LEU . 3.9 m-85 -105.15 119.4 38.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.8 m -98.63 128.2 44.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 mp -116.18 93.54 4.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.16 101.12 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.3 t -109.9 124.39 51.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 67.0 mt -113.49 133.04 60.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.2 mt -104.42 107.98 59.25 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.594 0.712 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -177.49 1.9 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.723 2.282 . . . . 0.0 112.364 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -92.67 26.85 2.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.51 ' O ' ' C ' ' A' ' 85' ' ' TYR . 7.4 mttt -119.63 -47.15 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.652 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.1 t80 -28.25 140.43 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.684 0.754 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.652 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.3 Cg_endo -69.75 -8.01 10.27 Favored 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.288 -0.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.455 ' HB2' ' C ' ' A' ' 84' ' ' LYS . . . -33.48 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.089 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.482 HG11 ' CD ' ' A' ' 84' ' ' LYS . 2.3 m -104.36 129.96 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.1 mt -52.99 154.09 5.51 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.62 0.724 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.611 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.7 Cg_endo -69.78 176.24 7.05 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 91' ' ' GLU . 1.0 OUTLIER -112.18 83.81 1.86 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 36.6 mt -89.35 124.55 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.7 m -123.78 104.26 8.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.475 ' O ' ' CG ' ' A' ' 104' ' ' GLN . 21.9 t -75.45 126.21 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -137.22 140.56 41.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.5 t -157.54 137.34 12.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.46 HG22 ' CD2' ' A' ' 98' ' ' LEU . 27.7 m -59.32 -31.39 46.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.46 ' CD2' HG22 ' A' ' 97' ' ' VAL . 1.5 mm? -66.04 -55.48 16.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.412 HD13 ' CE2' ' A' ' 75' ' ' PHE . 39.3 mt -63.41 154.68 31.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.8 t -88.06 155.8 19.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -48.23 -39.24 20.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.0 m -77.99 -55.67 5.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 104' ' ' GLN . 51.3 mt-30 -50.15 -62.99 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.489 ' O ' ' ND2' ' A' ' 108' ' ' ASN . 4.3 tp60 -34.7 -53.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.417 ' HA ' ' OD1' ' A' ' 108' ' ' ASN . 92.8 m -51.6 -58.5 6.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -42.13 -39.13 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.53 -73.13 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 104' ' ' GLN . 0.9 OUTLIER -45.2 -41.09 7.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.3 m -48.94 -37.1 19.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -87.81 -36.93 16.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.468 HD21 ' CG2' ' A' ' 132' ' ' VAL . 7.0 tp -48.21 -44.07 32.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 113' ' ' ALA . 91.5 m -67.48 -60.02 2.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 112' ' ' THR . . . -36.63 -45.96 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -44.59 -54.74 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 116' ' ' GLN . 11.4 mt -64.08 -50.32 68.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 115' ' ' LEU . 90.3 mt-30 -35.47 -38.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.02 -61.65 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -59.12 -62.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 12.7 m -100.69 104.61 15.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -131.23 97.64 4.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 93.77 33.5 7.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.439 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.79 -179.22 6.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.548 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 33.3 m -113.19 112.65 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.8 m -162.06 105.16 1.17 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 46.5 mm -95.4 -50.61 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 127' ' ' ASN . 20.8 mt -44.62 -55.39 5.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 126' ' ' LEU . 16.5 m-80 -34.44 -40.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.31 -52.14 30.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 67.2 p -53.95 -27.47 31.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.117 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -78.06 -23.81 47.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.599 ' CE3' ' O ' ' A' ' 131' ' ' TRP . 32.8 t90 -85.8 -12.76 50.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.468 ' CG2' HD21 ' A' ' 111' ' ' LEU . 71.1 t -92.33 -56.3 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.174 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.437 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 0.9 OUTLIER -48.61 -19.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -94.43 -64.42 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 138' ' ' GLY . 5.9 m-70 -55.33 -47.82 75.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -34.7 -70.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 86.2 p -39.95 -34.95 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.816 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -60.78 -54.07 40.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -57.94 -45.78 86.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.933 0.397 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.775 0.321 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 12' ' ' ALA . 43.2 mt-30 -44.16 -67.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 9' ' ' GLN . . . -37.99 -39.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -75.19 -37.93 61.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 9' ' ' GLN . . . -48.56 -50.42 32.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -65.21 -62.1 1.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 15' ' ' ALA . 46.9 tp -40.97 -62.91 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.05 -52.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -57.16 -51.4 69.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.1 mt -51.02 -64.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -36.31 -49.36 0.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 tt -55.12 -60.53 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' MET . 22.4 mt -42.44 -64.7 0.56 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.41 -41.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 m -73.99 -44.38 54.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 20' ' ' LEU . 39.7 mmm -60.34 -39.11 85.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 0.0 110.856 -179.951 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.767 0.317 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -38.65 -47.79 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.24 128.84 20.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.468 ' CD1' ' ND2' ' A' ' 62' ' ' ASN . 5.3 mp -124.7 119.1 55.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.1 t -96.05 105.98 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.072 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.495 ' HB2' ' CD2' ' A' ' 58' ' ' TYR . 55.8 m-80 -73.46 -48.15 35.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -84.77 88.73 7.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -76.6 -41.78 44.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.98 -54.12 39.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -41.81 -61.94 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.428 ' CG1' ' HE3' ' A' ' 42' ' ' LYS . 93.9 t -49.52 -57.09 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.35 -40.73 50.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.1 -41.95 98.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 tp -54.22 -51.66 63.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.428 ' HE3' ' CG1' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -56.59 -51.38 68.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.813 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -57.65 -42.93 84.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.5 t -52.3 -56.53 14.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.0 mt -50.78 -58.72 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.936 0.398 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -79.8 145.18 32.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.4 t -73.64 97.84 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.495 ' CD2' ' HB2' ' A' ' 33' ' ' ASN . 24.3 t80 -100.5 123.32 44.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -150.41 127.34 11.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.1 m -94.2 146.13 24.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.0 mt -122.24 124.57 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.468 ' ND2' ' CD1' ' A' ' 31' ' ' ILE . 72.0 m-80 -97.18 123.49 40.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 26.6 mtm -129.88 116.04 18.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -83.9 134.21 34.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.82 152.48 41.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -75.54 77.58 2.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.481 HG23 ' N ' ' A' ' 68' ' ' SER . 0.4 OUTLIER -51.03 -71.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.481 ' N ' HG23 ' A' ' 67' ' ' VAL . 6.1 t -174.09 -179.62 1.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 56.91 50.18 12.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 42.98 30.13 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -137.19 173.31 11.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.6 ptm -132.45 156.99 45.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.58 171.19 11.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 68.6 mtp -112.95 131.43 55.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -110.3 116.55 31.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 72.8 p -88.9 113.74 24.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.0 mp -102.23 96.01 6.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.84 93.63 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.061 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 60.1 m -91.19 140.36 29.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 78.3 mt -140.53 115.52 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.2 mt -88.28 119.84 70.36 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.627 0.727 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -175.27 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.261 . . . . 0.0 112.361 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -99.06 27.34 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.51 ' O ' ' C ' ' A' ' 85' ' ' TYR . 1.8 mtpp -128.65 -39.28 1.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.647 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.6 t80 -28.32 141.39 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.659 0.742 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.647 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.7 Cg_endo -69.79 -8.89 10.8 Favored 'Cis proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.356 -0.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.494 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -30.87 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.3 m -104.43 127.21 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 28.1 mt -46.59 158.67 0.39 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.595 0.712 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.598 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.1 Cg_endo -69.73 178.71 4.28 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.642 2.228 . . . . 0.0 112.343 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -119.78 68.92 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 69.8 mt -75.9 131.63 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.6 m -125.01 98.08 5.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.8 t -73.51 132.07 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -130.63 155.19 46.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.8 t -171.54 124.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.401 ' CG1' ' N ' ' A' ' 98' ' ' LEU . 1.9 p -56.65 -37.97 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.091 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.401 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 22.3 mt -60.51 -47.22 87.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.7 mt -59.97 153.54 21.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.5 m -94.3 174.87 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -58.22 -42.74 86.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.1 m -75.62 -61.27 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -42.33 -65.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -39.8 -53.05 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 28.9 m -49.39 -63.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -41.0 -51.97 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.525 HD12 ' CD2' ' A' ' 139' ' ' TYR . 8.1 tt -52.28 -58.56 6.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -42.09 -49.34 4.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 54.9 m -63.45 -47.97 79.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 111' ' ' LEU . 6.7 m-20 -56.81 -59.88 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.463 HD11 ' CE3' ' A' ' 131' ' ' TRP . 18.2 tp -36.44 -57.49 0.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 60.3 m -51.54 -53.86 33.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -41.6 -57.66 2.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.537 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 22.4 t80 -38.92 -57.01 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 117' ' ' LYS . 49.1 mt -61.47 -53.81 51.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 115' ' ' LEU . 54.9 mt-30 -36.06 -32.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 115' ' ' LEU . 9.6 ttmt -99.08 -64.23 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -51.8 -51.46 56.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.803 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 8.6 t -120.77 105.55 10.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -130.73 78.31 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 119.87 27.44 2.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -147.05 175.75 10.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.564 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 34.5 m -105.27 115.15 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 5.2 m -160.92 105.76 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.5 mm -93.85 -44.16 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 22.6 mt -52.8 -47.73 67.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.537 ' OD1' ' CZ ' ' A' ' 114' ' ' PHE . 8.5 t-20 -44.61 -28.95 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.88 -45.31 14.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 59.5 p -61.25 -27.12 68.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -81.34 -17.99 47.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.577 ' CE3' ' O ' ' A' ' 131' ' ' TRP . 8.5 t90 -93.26 -14.68 26.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 134' ' ' GLU . 21.1 t -94.01 -57.49 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 132' ' ' VAL . 6.6 ptm180 -36.74 -29.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 132' ' ' VAL . 32.7 tt0 -90.67 -54.7 3.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.453 ' O ' ' C ' ' A' ' 136' ' ' ALA . 23.4 m-70 -62.92 -55.55 24.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.89 -68.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.065 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.3 m -51.44 -38.26 52.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -55.64 -47.97 74.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.505 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.525 ' CD2' HD12 ' A' ' 107' ' ' LEU . 68.8 m-85 -56.96 -53.59 56.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.917 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 89.5 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.913 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.762 0.315 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -42.94 -58.57 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.41 -40.44 1.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -75.72 -41.03 54.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.74 -48.97 10.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -68.81 -61.4 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 15' ' ' ALA . 19.0 tp -44.96 -62.53 1.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.3 -62.82 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.061 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -49.8 -55.25 14.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.0 mt -43.78 -54.17 5.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -53.49 -41.67 66.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 tp -65.94 -50.98 62.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.7 mt -46.48 -52.32 13.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.05 -45.81 1.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.043 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -79.7 -35.79 38.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 82.4 mmm -52.51 -34.38 49.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.617 0.722 . . . . 0.0 110.902 -179.92 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.819 0.342 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -86.58 -69.25 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.59 135.86 44.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.37 120.26 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.5 t -100.0 94.34 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -62.9 -45.81 90.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -85.23 58.61 5.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -56.0 -42.26 76.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.966 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.5 tp -55.11 -49.57 71.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.45 -53.35 4.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.9 t -61.41 -41.12 88.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.6 -45.84 84.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -60.06 -38.92 84.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.7 tp -52.83 -48.9 66.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.08 -58.73 6.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -42.42 -47.51 5.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 74.5 m -54.31 -49.96 68.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 24.2 mt -61.58 -55.63 23.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.1 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.885 0.374 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.468 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 29.0 mttt -63.8 128.86 37.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.4 t -56.0 97.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -103.39 123.15 46.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -149.69 132.08 15.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.4 m -100.38 140.4 34.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.2 mt -113.49 129.58 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.417 ' HB3' ' CG ' ' A' ' 74' ' ' MET . 77.2 m-20 -106.33 114.07 27.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.419 ' C ' ' HE2' ' A' ' 74' ' ' MET . 26.6 mtp -117.64 114.16 22.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -80.55 110.84 16.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' A' ' 133' ' ' ARG . 0.4 OUTLIER -138.57 162.44 34.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -73.01 147.82 44.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.47 HG13 ' CD1' ' A' ' 98' ' ' LEU . 23.3 m -125.23 -50.11 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.423 ' N ' HG22 ' A' ' 67' ' ' VAL . 27.3 p -167.63 176.97 6.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 70' ' ' GLU . 69.7 m-20 37.65 53.83 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 69' ' ' ASP . 27.8 tt0 35.01 43.24 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -119.32 167.58 11.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 17.2 mtp -122.2 158.5 29.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -155.47 163.47 39.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.419 ' HE2' ' C ' ' A' ' 63' ' ' MET . 1.9 tpt -95.95 144.5 26.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -121.54 109.8 15.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.3 m -83.72 119.66 25.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 mp -112.9 94.68 5.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.0 96.4 2.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 53.5 t -102.28 127.7 49.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 56' ' ' LYS . 85.6 mt -126.17 103.36 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.5 mt -74.03 120.64 82.35 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.639 0.733 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -170.8 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -92.75 -11.59 33.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.489 ' O ' ' C ' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -88.22 -39.35 14.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.708 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 3.7 t80 -30.48 142.42 0.1 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.644 0.735 . . . . 0.0 110.94 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.708 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.6 Cg_endo -69.77 -8.91 10.78 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.349 -0.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.491 ' C ' ' O ' ' A' ' 86' ' ' PRO . . . -29.11 -72.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.464 ' CG2' ' HD3' ' A' ' 84' ' ' LYS . 3.0 m -107.45 126.67 63.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.8 mt -44.46 158.0 0.29 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.618 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.2 Cg_endo -69.76 -172.92 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.663 2.242 . . . . 0.0 112.35 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -121.98 60.64 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.9 mt -65.29 132.31 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 85.3 m -125.93 98.42 5.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.413 ' CG2' ' CD2' ' A' ' 111' ' ' LEU . 20.7 t -73.36 134.21 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -143.08 158.13 43.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -171.77 132.51 0.72 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.4 m -56.42 -27.45 24.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.47 ' CD1' HG13 ' A' ' 67' ' ' VAL . 27.3 mt -67.12 -55.05 15.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.6 mt -64.66 167.5 7.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.95 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.2 m -106.33 171.26 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.418 ' C ' ' HD3' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -63.04 -14.35 47.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.9 m -94.48 -62.37 1.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -51.78 -56.15 15.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -46.03 -44.54 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 92.5 m -59.18 -53.23 60.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -55.39 -40.16 71.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.493 HD11 ' CD2' ' A' ' 139' ' ' TYR . 8.1 tt -60.88 -43.99 97.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -63.65 -47.42 81.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 58.5 m -47.43 -38.31 13.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -81.91 -45.8 14.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.413 ' CD2' ' CG2' ' A' ' 94' ' ' VAL . 18.6 tp -45.09 -42.28 8.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 95.8 m -71.61 -47.58 53.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.56 -45.73 73.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.495 ' CD1' ' CD1' ' A' ' 131' ' ' TRP . 45.6 t80 -42.57 -67.34 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 116' ' ' GLN . 15.5 mt -53.87 -55.92 22.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 115' ' ' LEU . 14.7 mm-40 -34.78 -37.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 115' ' ' LEU . 18.3 ttpt -97.98 -64.93 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -52.0 -60.78 2.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 8.0 m -127.62 113.41 16.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -150.36 113.47 4.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 130.89 -28.58 3.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.19 165.87 13.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.423 HG13 ' CE2' ' A' ' 85' ' ' TYR . 15.9 m -74.8 100.47 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 68.6 m -134.91 86.46 2.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.6 mm -90.07 -37.4 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.78 -30.2 71.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -59.94 -41.51 91.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.1 -53.6 47.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 61.0 p -51.31 -42.18 61.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.179 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -64.39 -22.91 67.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.609 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 20.7 t90 -85.7 -23.86 27.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 134' ' ' GLU . 96.0 t -81.93 -59.24 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.419 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 7.3 ptt180 -40.28 -28.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 132' ' ' VAL . 4.6 tp10 -90.84 -64.25 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.609 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 5.4 m-70 -52.2 -53.73 39.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.98 -69.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 52.9 p -37.51 -40.54 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -63.09 -54.33 33.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.493 ' CD2' HD11 ' A' ' 107' ' ' LEU . 77.8 m-85 -55.78 -53.21 59.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.918 0.389 . . . . 0.0 110.945 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.406 ' CG1' ' HB ' ' A' ' 67' ' ' VAL . 59.8 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.808 0.337 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -42.03 -53.01 4.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.64 -50.47 60.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -61.86 -40.6 95.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -46.03 -42.64 13.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -80.43 -49.52 11.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.453 HD22 ' CD1' ' A' ' 45' ' ' ILE . 18.2 tp -53.84 -62.34 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.88 -52.82 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -56.96 -58.97 5.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.3 mt -45.92 -58.79 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -46.87 -41.04 15.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.5 tp -69.61 -49.49 53.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' ALA . 32.9 mt -49.46 -60.02 3.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -35.41 -47.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.0 m -74.96 -45.3 43.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 86.0 mmm -46.01 -38.82 8.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.612 0.72 . . . . 0.0 110.873 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.4 p30 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.743 0.306 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -102.41 -37.7 7.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.419 ' C ' HD13 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -144.63 146.36 32.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.419 HD13 ' C ' ' A' ' 30' ' ' LEU . 5.4 mp -142.79 124.19 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.5 t -98.64 95.48 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -65.71 -50.97 62.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -88.14 87.97 7.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.81 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -78.06 -41.41 35.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tp -43.45 -57.62 2.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -38.1 -50.85 1.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 79.7 t -66.69 -58.97 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.119 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -37.97 -53.39 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -60.47 -43.59 96.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.3 tp -48.18 -49.85 31.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.5 -44.91 96.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -56.42 -43.15 79.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.4 t -60.46 -52.48 65.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.453 ' CD1' HD22 ' A' ' 14' ' ' LEU . 21.0 mt -61.01 -54.26 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.929 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.968 0.413 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.471 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 6.3 mtmm -65.24 137.81 57.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.9 t -73.26 102.16 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -98.28 115.17 27.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 29.6 p90 -143.08 120.08 11.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.439 ' CG2' ' HB3' ' A' ' 76' ' ' SER . 25.7 m -91.25 138.68 31.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.143 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.2 mt -113.48 123.46 69.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -97.71 120.15 37.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 35.2 mtp -124.36 110.38 14.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -80.35 128.09 33.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' A' ' 133' ' ' ARG . 0.8 OUTLIER -142.72 149.17 38.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.14 131.25 35.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.1 m -109.04 -43.52 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.8 p -175.07 173.74 2.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.817 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 71' ' ' LYS . 2.2 t70 49.1 50.37 18.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 38.55 28.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -114.63 -179.14 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.2 ptm -153.94 160.48 42.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -129.8 158.84 38.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 22.9 ttm -90.35 125.92 35.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 136' ' ' ALA . 25.3 m-85 -108.3 105.88 15.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.439 ' HB3' ' CG2' ' A' ' 60' ' ' THR . 16.2 m -86.1 124.33 32.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.2 mp -112.46 94.15 4.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.14 95.77 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 28.5 m -98.08 121.66 40.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 56' ' ' LYS . 86.8 mt -125.96 119.25 54.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.417 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 34.5 mt -86.63 110.03 28.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.732 . . . . 0.0 110.936 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 179.29 3.77 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.378 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -82.69 20.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.516 ' O ' ' C ' ' A' ' 85' ' ' TYR . 21.2 mmtt -115.27 -50.15 2.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.676 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.9 t80 -27.34 140.87 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.672 0.749 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.676 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 54.1 Cg_endo -69.79 -9.17 10.94 Favored 'Cis proline' 0 C--N 1.341 0.14 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.31 0.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.474 ' HB2' ' C ' ' A' ' 84' ' ' LYS . . . -33.33 -76.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.404 ' O ' HG22 ' A' ' 88' ' ' VAL . 2.5 m -99.5 129.52 49.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.3 mt -48.24 157.64 0.65 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.706 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.613 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.2 Cg_endo -69.76 156.46 63.28 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.636 2.224 . . . . 0.0 112.376 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -90.82 77.83 6.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 31.5 mt -83.7 106.81 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 85.6 m -102.76 108.72 20.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.2 t -81.38 132.65 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -131.68 149.61 52.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 43.7 t -172.7 134.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.45 ' CG1' HD22 ' A' ' 98' ' ' LEU . 4.3 p -64.2 -32.72 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.13 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.45 HD22 ' CG1' ' A' ' 97' ' ' VAL . 15.6 mt -65.84 -43.15 89.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 49.8 mt -70.19 138.29 51.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.4 t -83.65 152.84 24.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -45.95 -34.76 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.1 m -78.19 -54.48 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -53.47 -55.66 23.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -40.35 -53.67 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 89.1 m -45.78 -61.33 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -49.82 -55.03 15.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.6 tt -42.79 -60.2 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -50.13 -51.82 40.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 23.0 m -43.45 -42.62 4.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.531 ' HB3' ' CH2' ' A' ' 131' ' ' TRP . 0.7 OUTLIER -75.27 -56.85 4.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 110' ' ' ASP . 11.1 tp -36.63 -60.16 0.62 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.0 m -56.54 -49.46 74.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -48.58 -53.76 17.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 113' ' ' ALA . 8.0 t80 -35.47 -60.6 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.56 -51.33 70.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -45.4 -32.8 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -64.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -92.42 -65.04 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 86.0 m -71.06 90.81 0.86 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -143.14 116.67 9.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 97.46 -18.64 57.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.477 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.43 160.45 17.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.7 m -84.53 110.94 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 28.1 m -154.55 105.29 2.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.439 ' CD1' ' HG3' ' A' ' 90' ' ' PRO . 47.1 mm -96.09 -50.99 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 127' ' ' ASN . 12.6 mt -45.23 -50.97 11.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 126' ' ' LEU . 9.8 m120 -36.65 -43.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.86 -51.58 63.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 30.1 p -55.28 -33.82 63.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -70.17 -29.06 65.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.562 ' CE3' ' O ' ' A' ' 131' ' ' TRP . 24.0 t90 -82.74 -22.42 34.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.5 ' O ' ' N ' ' A' ' 134' ' ' GLU . 98.9 t -87.97 -56.53 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.453 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 10.8 ptp180 -38.43 -26.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 132' ' ' VAL . 4.3 tp10 -95.26 -64.52 1.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.461 ' O ' ' C ' ' A' ' 136' ' ' ALA . 37.9 m-70 -53.61 -51.38 63.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 75' ' ' PHE . . . -33.26 -70.32 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 21.9 m -45.51 -41.79 10.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -53.92 -54.27 32.05 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -54.33 -53.46 53.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.946 0.403 . . . . 0.0 110.888 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 52.1 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.916 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.821 0.343 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -45.38 -51.79 10.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.99 -42.69 38.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -69.3 -42.22 75.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -47.07 -51.36 17.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -67.73 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.473 HD12 ' CD ' ' A' ' 42' ' ' LYS . 54.1 tp -40.05 -59.93 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.36 -59.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -52.67 -55.4 22.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.7 mt -47.44 -63.89 0.93 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -41.04 -55.84 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' LEU . 3.4 tt -51.47 -62.68 1.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 23' ' ' MET . 18.4 mt -36.01 -59.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.69 -43.18 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.162 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 t -76.45 -39.7 52.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.499 ' N ' ' O ' ' A' ' 20' ' ' LEU . 91.2 mmm -53.49 -39.18 64.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 -179.948 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.838 0.352 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -97.03 -73.24 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.13 128.72 43.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.464 HD12 ' ND2' ' A' ' 62' ' ' ASN . 5.1 mp -127.37 127.99 69.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.0 p -111.51 125.36 68.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -86.86 -50.85 6.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -88.44 89.84 8.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -81.98 -38.76 24.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.4 tp -45.73 -55.37 6.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.08 -45.92 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.097 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.26 -60.45 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -40.01 -47.28 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -67.59 -37.77 83.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.412 ' CD2' ' HB2' ' A' ' 14' ' ' LEU . 12.6 tp -56.47 -22.16 30.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.473 ' CD ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -83.38 -37.35 23.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.816 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -76.07 -50.31 15.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 45' ' ' ILE . 1.4 p -41.12 -41.5 1.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.444 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 34.9 mt -67.03 -50.67 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.1 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.953 0.406 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -85.43 130.52 34.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.08 97.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.169 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -97.65 122.15 40.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 40.1 p90 -155.44 126.07 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.6 m -96.39 158.94 15.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.5 mt -133.58 127.27 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.464 ' ND2' HD12 ' A' ' 31' ' ' ILE . 67.3 m-80 -103.91 121.04 42.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.3 mtm -124.25 123.27 39.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -85.31 114.41 22.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.424 ' CD1' ' HA ' ' A' ' 133' ' ' ARG . 1.4 mt -142.66 162.19 36.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -85.13 151.54 24.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.6 m -121.42 -45.23 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.0 t -173.74 171.21 3.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 49.76 37.49 13.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 48.96 31.06 3.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -101.37 169.87 8.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.2 mtp -128.72 153.01 47.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.466 ' CB ' HD12 ' A' ' 98' ' ' LEU . . . -156.84 156.07 32.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 47.0 mtp -87.63 148.7 24.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.451 ' CE2' ' HB2' ' A' ' 136' ' ' ALA . 16.8 m-85 -129.65 106.26 8.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.5 p -82.02 128.93 34.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 mp -123.08 95.25 4.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.959 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.6 93.32 1.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 12.0 m -92.98 125.02 37.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 81' ' ' LEU . 95.2 mt -126.02 142.33 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.42 ' N ' HG22 ' A' ' 80' ' ' ILE . 52.5 mt -113.67 115.76 46.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.583 0.706 . . . . 0.0 110.93 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -168.61 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -102.84 26.47 8.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.51 ' O ' ' C ' ' A' ' 85' ' ' TYR . 7.5 mttm -125.34 -42.39 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.681 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.7 t80 -28.85 141.35 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.71 0.767 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.681 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.8 -8.03 10.35 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.325 -0.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.481 ' HB2' ' CB ' ' A' ' 84' ' ' LYS . . . -32.18 -76.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.458 ' CG1' ' HD2' ' A' ' 84' ' ' LYS . 2.5 m -99.88 126.61 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.483 ' N ' HD21 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -42.46 160.88 0.18 Allowed Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.653 0.74 . . . . 0.0 110.913 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.583 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.1 Cg_endo -69.76 169.22 19.42 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.654 2.236 . . . . 0.0 112.345 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -111.03 66.18 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 69.8 mt -79.22 126.18 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 46.1 m -122.12 105.75 10.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.44 HG23 ' CD2' ' A' ' 107' ' ' LEU . 20.9 t -77.97 139.12 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -139.65 149.44 43.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.0 t -171.74 142.73 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.0 p -66.84 -34.22 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.466 HD12 ' CB ' ' A' ' 73' ' ' ALA . 13.1 mt -61.36 -52.28 65.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.3 mt -55.47 174.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.8 t -127.06 161.44 28.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -43.73 -41.0 4.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.855 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 m -76.05 -68.92 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 104' ' ' GLN . 80.7 mm-40 -41.35 -63.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 103' ' ' GLN . 20.9 tp60 -36.15 -64.45 0.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 88.4 m -41.52 -63.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -44.94 -42.79 8.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.521 ' HA ' ' CZ ' ' A' ' 139' ' ' TYR . 9.6 tt -63.56 -42.97 98.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -57.32 -51.67 68.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 47.8 m -55.45 -61.51 2.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 111' ' ' LEU . 2.1 m-20 -46.86 -59.08 3.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 110' ' ' ASP . 12.1 tp -34.01 -59.12 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 60.2 m -55.5 -54.47 43.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -38.48 -53.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -41.04 -61.97 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 116' ' ' GLN . 14.9 mt -61.07 -54.64 42.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.437 ' CD ' ' HG ' ' A' ' 89' ' ' LEU . 24.5 mm-40 -35.66 -39.71 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -94.46 -65.02 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -53.28 -59.75 4.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 48.3 m -104.86 96.27 6.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -129.55 135.12 48.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 80.85 -8.81 55.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.7 175.93 5.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.87 0.367 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.508 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 34.3 m -113.58 115.47 49.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 3.6 m -156.82 106.91 2.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.4 mm -90.47 -41.54 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 12.9 mt -47.96 -44.05 30.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -45.34 -38.19 5.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.09 -60.0 2.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.08 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 78.0 p -51.79 -27.09 11.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -81.12 -24.98 37.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.629 ' CZ2' ' ND1' ' A' ' 135' ' ' HIS . 9.0 t90 -91.37 -20.77 21.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 134' ' ' GLU . 24.5 t -84.11 -57.32 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.153 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 132' ' ' VAL . 20.0 ptt180 -35.29 -33.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 132' ' ' VAL . 7.6 tp10 -91.31 -67.96 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.629 ' ND1' ' CZ2' ' A' ' 131' ' ' TRP . 4.6 m-70 -42.91 -53.17 4.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.451 ' HB2' ' CE2' ' A' ' 75' ' ' PHE . . . -34.73 -68.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 136' ' ' ALA . 1.3 t -34.4 -39.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -67.65 -56.65 10.69 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.521 ' CZ ' ' HA ' ' A' ' 107' ' ' LEU . 79.4 m-85 -52.42 -20.45 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 0.0 110.933 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 1.8 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.104 179.931 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 9' ' ' GLN . 12.8 pt-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.829 0.347 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.43 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 34.7 tt0 -39.74 -57.23 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.458 ' HB2' ' CG1' ' A' ' 45' ' ' ILE . . . -50.18 -51.94 39.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -59.93 -34.76 73.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.86 -50.81 70.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -71.61 -41.73 68.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 15' ' ' ALA . 30.4 tp -56.98 -64.88 0.73 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.99 -55.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.041 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -50.2 -44.95 53.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' LEU . 87.9 mt -58.5 -70.03 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -42.39 -42.78 3.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.02 -55.35 36.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.5 mt -50.38 -55.48 15.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.02 -45.75 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.8 m -77.37 -38.49 49.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.5 mmm -48.65 -38.79 22.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.429 ' HB3' ' CD ' ' A' ' 29' ' ' GLU . 94.8 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.683 0.754 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.77 0.319 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.445 ' OE1' ' CB ' ' A' ' 30' ' ' LEU . 2.2 pp20? -116.41 -39.14 3.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.445 ' CB ' ' OE1' ' A' ' 29' ' ' GLU . 0.3 OUTLIER -134.28 134.02 41.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.432 HD12 ' ND2' ' A' ' 62' ' ' ASN . 4.9 mp -130.61 129.15 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.425 HG13 ' NE2' ' A' ' 35' ' ' GLN . 1.5 p -104.87 99.52 8.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -52.65 -55.98 18.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -90.51 77.58 6.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.425 ' NE2' HG13 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -68.55 -41.57 79.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.8 tp -52.52 -43.7 65.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.31 -39.33 2.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.6 t -72.71 -57.23 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -45.77 -52.93 10.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.61 -40.39 94.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.9 tp -59.51 -51.76 68.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -49.24 -46.63 46.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 44' ' ' CYS . 8.8 t0 -55.85 -57.86 10.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 43' ' ' ASP . 76.0 m -35.69 -55.01 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.458 ' CG1' ' HB2' ' A' ' 10' ' ' ALA . 68.0 mt -46.18 -59.69 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.896 0.379 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -81.24 140.24 35.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 83.9 t -69.48 96.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -106.39 114.48 28.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 7.0 p90 -140.23 130.24 24.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 93.4 m -100.02 121.58 41.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.6 mt -98.69 125.92 51.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.432 ' ND2' HD12 ' A' ' 31' ' ' ILE . 83.5 m-20 -98.73 121.82 41.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 36.6 mtp -127.68 109.77 12.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.2 p-10 -84.19 114.56 21.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 133' ' ' ARG . 0.5 OUTLIER -140.54 162.55 35.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -78.66 151.86 32.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.461 ' CG1' HG22 ' A' ' 140' ' ' VAL . 20.5 m -123.64 -41.54 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.177 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 69' ' ' ASP . 1.6 t -175.41 179.58 1.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 68' ' ' SER . 15.9 m-20 33.8 54.2 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' ASP . 22.9 tt0 35.04 48.71 0.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.02 174.87 5.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.0 mtp -133.06 152.94 51.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.477 ' CB ' HD12 ' A' ' 98' ' ' LEU . . . -153.07 154.67 35.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 47.4 mtp -86.95 151.24 23.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.513 ' CZ ' ' HB1' ' A' ' 136' ' ' ALA . 25.9 m-85 -132.13 100.19 4.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.6 p -82.62 116.98 22.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.65 94.83 5.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.92 98.75 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 2.7 m -100.0 130.73 46.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 89.9 mt -127.4 118.99 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.9 mt -95.71 107.51 34.2 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.608 0.718 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -176.77 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.256 . . . . 0.0 112.371 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -90.37 26.19 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -119.92 -49.75 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.675 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.7 t80 -28.36 142.07 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.667 0.746 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.675 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.7 Cg_endo -69.75 -2.44 7.13 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.321 -0.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.45 ' HB1' ' CB ' ' A' ' 84' ' ' LYS . . . -40.08 -73.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.408 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 2.8 m -104.11 127.23 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.4 mt -49.48 155.44 1.32 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.605 0.717 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.581 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.2 Cg_endo -69.77 168.98 20.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.71 2.273 . . . . 0.0 112.343 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -103.46 65.76 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.8 mt -70.81 110.3 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.144 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 89.3 m -111.45 102.96 11.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.7 t -73.23 135.67 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -140.93 146.07 36.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 98' ' ' LEU . 4.6 t -174.1 131.17 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 98' ' ' LEU . 7.4 p -37.5 -32.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.477 HD12 ' CB ' ' A' ' 73' ' ' ALA . 10.3 mt -66.66 -57.09 7.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.405 HD23 ' CG1' ' A' ' 140' ' ' VAL . 12.2 mt -74.84 126.02 30.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 66.9 m -110.7 -75.24 0.62 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.14 -75.02 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 70.3 m -52.54 -63.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.784 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -49.29 -56.13 10.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -55.4 -68.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 45.3 m -42.52 -48.41 5.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -57.58 -36.61 71.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.485 ' HA ' ' CZ ' ' A' ' 139' ' ' TYR . 9.7 tt -73.4 -55.28 6.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 24.9 m-20 -54.74 -46.98 74.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.2 m -47.16 -42.35 19.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 111' ' ' LEU . 1.9 m-20 -80.93 -53.83 6.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 110' ' ' ASP . 12.0 tp -33.81 -51.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 24.7 m -67.01 -53.1 34.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -47.19 -50.14 21.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.055 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.555 ' CE2' HD21 ' A' ' 115' ' ' LEU . 9.1 t80 -42.03 -59.17 1.83 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.555 HD21 ' CE2' ' A' ' 114' ' ' PHE . 29.3 mt -63.69 -55.33 24.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 115' ' ' LEU . 39.5 mt-30 -34.44 -48.53 0.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -82.18 -64.37 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -43.93 -61.68 1.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.801 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.8 t -123.1 120.27 32.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -133.33 83.11 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 124.65 43.38 0.31 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -159.42 178.44 9.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.546 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 17.1 m -109.6 91.22 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 11.5 m -134.81 89.82 2.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 43.8 mm -82.69 -49.6 16.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.1 mt -47.14 -47.27 23.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.527 ' ND2' ' CZ ' ' A' ' 114' ' ' PHE . 18.2 t30 -40.63 -38.35 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.88 -54.4 15.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 73.3 p -53.35 -28.81 30.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -77.81 -20.46 53.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.722 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 27.9 t90 -92.1 -28.39 17.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.402 ' CG2' HD11 ' A' ' 111' ' ' LEU . 71.7 t -79.93 -50.51 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.476 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 5.5 ptm180 -44.64 -29.21 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -93.55 -67.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.722 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 8.7 m-70 -45.81 -48.61 15.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.513 ' HB1' ' CZ ' ' A' ' 75' ' ' PHE . . . -33.37 -71.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 136' ' ' ALA . 11.7 m -36.87 -40.32 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -57.99 -59.48 10.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . 0.485 ' CZ ' ' HA ' ' A' ' 107' ' ' LEU . 86.6 m-85 -58.2 -41.3 83.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.955 0.407 . . . . 0.0 110.94 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.461 HG22 ' CG1' ' A' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.088 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.824 0.345 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -52.57 -46.63 66.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.94 87.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' ALA . 42.7 mt-10 -64.89 -45.58 85.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . -35.97 -63.2 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -51.99 -54.26 31.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' ALA . 39.3 tp -49.55 -60.62 2.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.62 -57.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -51.84 -62.4 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt -45.52 -55.9 5.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 18' ' ' ASP . 30.3 t0 -51.33 -42.77 61.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' LEU . 8.5 tp -66.51 -59.22 3.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 19' ' ' LEU . 16.2 mt -36.33 -54.82 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.58 -48.3 28.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 p -69.91 -38.95 76.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.802 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 53.1 mmm -56.95 -41.92 79.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.497 ' CB ' ' OE1' ' A' ' 29' ' ' GLU . 92.3 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.794 0.331 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.497 ' OE1' ' CB ' ' A' ' 24' ' ' PHE . 2.3 pp20? -117.32 -38.79 3.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.427 ' CB ' ' OE1' ' A' ' 29' ' ' GLU . 1.1 tt -144.04 129.88 19.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.2 mp -131.08 117.36 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 51.2 t -94.4 94.49 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -64.98 -51.5 61.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -75.52 64.35 1.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -66.91 -27.39 67.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.8 tp -64.06 -36.41 83.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.69 -50.64 72.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.071 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.2 t -59.73 -39.12 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.91 -41.33 77.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -65.0 -44.38 89.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.2 tp -60.07 -58.62 7.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -48.91 -40.28 29.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.945 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 44' ' ' CYS . 15.4 t0 -69.39 -54.65 13.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 43' ' ' ASP . 22.3 m -37.54 -56.88 0.99 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.1 mt -51.41 -46.2 34.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.926 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.7 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.948 0.404 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -72.6 153.68 41.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.3 t -83.38 97.46 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.076 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -96.5 126.08 41.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 13.9 p90 -153.54 131.53 11.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 61' ' ' ILE . 26.1 m -98.86 150.0 22.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.173 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.41 ' N ' HG22 ' A' ' 60' ' ' THR . 53.0 mt -126.92 118.6 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -90.48 110.41 21.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 72.2 mtp -110.62 119.84 40.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -88.54 121.49 30.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.49 148.41 30.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -73.78 147.0 43.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.2 m -122.79 -48.24 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.3 t -175.22 170.54 3.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 71' ' ' LYS . 4.6 m-20 50.9 51.87 16.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 38.35 28.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 69' ' ' ASP . 24.8 mtpp -115.78 176.36 5.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.23 164.03 32.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.7 165.78 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 40.9 mtp -96.49 137.95 34.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -117.54 117.83 30.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.8 m -89.44 126.42 35.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.1 mp -117.89 93.95 4.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.967 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.74 94.26 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 52.5 m -95.57 115.54 27.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 78.2 mt -118.94 118.76 58.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.9 mt -91.88 118.89 68.49 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.629 0.728 . . . . 0.0 110.933 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -170.56 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.67 2.246 . . . . 0.0 112.366 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -89.11 -20.37 24.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.541 ' O ' ' C ' ' A' ' 85' ' ' TYR . 11.4 mttt -77.2 -45.81 25.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.706 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.5 t80 -26.38 141.46 0.05 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.633 0.73 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.706 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 54.0 Cg_endo -69.78 -10.47 11.54 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.334 -0.053 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.483 ' C ' ' O ' ' A' ' 86' ' ' PRO . . . -30.98 -76.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.477 HG11 ' CD ' ' A' ' 84' ' ' LYS . 2.1 m -98.43 125.14 51.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.472 ' CD2' ' HD2' ' A' ' 90' ' ' PRO . 13.5 mt -42.7 161.37 0.18 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.626 0.727 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.584 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.2 Cg_endo -69.79 -171.23 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.651 2.234 . . . . 0.0 112.33 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -126.35 59.39 1.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.1 mt -66.76 126.96 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.179 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.1 m -120.8 102.3 8.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.8 t -73.41 129.58 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -140.72 128.95 22.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.0 t -149.6 130.99 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 38.6 t -47.51 -36.89 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.44 -54.71 21.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 97.9 mt -59.15 112.39 1.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.5 m -63.58 152.09 39.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -40.52 -47.21 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.6 p -68.62 -57.14 6.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -46.23 -62.14 1.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -41.0 -55.77 2.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 88.9 m -41.37 -59.38 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.096 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -51.08 -45.92 61.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.1 tt -57.08 -58.54 7.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -45.78 -58.49 3.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.5 m -42.77 -39.82 2.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.54 -55.98 5.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.521 ' HA ' ' CZ3' ' A' ' 131' ' ' TRP . 21.6 tp -38.58 -53.75 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 86.8 m -60.98 -50.0 75.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -47.35 -52.38 16.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.405 ' CD1' ' CD1' ' A' ' 131' ' ' TRP . 8.9 t80 -39.9 -56.58 1.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.7 mt -60.43 -58.23 9.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -39.57 -35.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -78.27 -63.36 1.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -84.59 -66.66 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 77.9 m -79.4 93.91 5.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -135.33 121.02 19.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 73.52 39.44 49.98 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.24 156.79 31.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.451 ' O ' ' CG2' ' A' ' 123' ' ' VAL . 35.7 m -83.18 91.74 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 89.6 m -134.88 83.08 2.0 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 41.4 mm -83.86 -39.28 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.55 -47.48 86.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -42.44 -38.86 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.87 -51.81 43.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.071 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 60.4 p -54.63 -32.26 58.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -75.42 -32.14 60.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.592 ' CZ2' ' CD2' ' A' ' 135' ' ' HIS . 36.1 t90 -80.74 -15.78 55.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 134' ' ' GLU . 54.1 t -81.31 -64.65 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -41.88 -23.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 132' ' ' VAL . 5.7 mm-40 -82.83 -66.51 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.592 ' CD2' ' CZ2' ' A' ' 131' ' ' TRP . 5.4 m-70 -59.51 -50.03 75.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.35 -70.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 59.1 p -41.78 -37.1 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -61.75 -50.54 65.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.484 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -62.94 -44.77 95.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.899 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 96.2 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 9' ' ' GLN . 12.0 pt-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.809 0.338 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.444 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 27.7 tt0 -43.45 -63.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.413 ' HB2' ' CG1' ' A' ' 45' ' ' ILE . . . -40.84 -44.02 2.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -66.08 -45.62 80.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.34 -49.93 2.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -70.71 -61.12 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 15' ' ' ALA . 56.7 tp -45.95 -64.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.96 -59.6 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.089 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -49.43 -53.88 20.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 58.2 mt -49.79 -65.32 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -40.47 -40.74 1.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 tp -68.85 -60.33 2.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.8 mt -38.68 -49.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.55 -47.64 14.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 m -76.24 -40.83 50.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 76.6 mmm -48.1 -36.36 13.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.671 0.748 . . . . 0.0 110.9 -179.908 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.764 0.316 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -95.68 -32.23 12.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.58 137.45 30.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.417 ' CD1' ' ND2' ' A' ' 62' ' ' ASN . 5.4 mp -129.57 121.34 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.6 t -101.73 94.22 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.43 ' HB2' ' CD2' ' A' ' 58' ' ' TYR . 33.2 m-80 -62.42 -56.72 15.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -74.43 86.67 2.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -76.32 -47.42 23.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.1 tp -50.02 -45.26 51.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -41.7 -40.61 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 41' ' ' LEU . 93.0 t -78.1 -62.22 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -39.96 -42.28 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -76.1 -37.14 58.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' VAL . 53.9 tp -58.22 -39.59 79.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -60.63 -52.62 64.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -49.43 -49.94 42.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.7 t -42.61 -62.17 1.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.429 ' CD1' HD21 ' A' ' 14' ' ' LEU . 17.6 mt -54.39 -43.6 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.994 0.426 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -79.7 152.88 29.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.7 t -75.98 98.06 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.43 ' CD2' ' HB2' ' A' ' 33' ' ' ASN . 13.5 t80 -97.95 120.99 39.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -154.03 119.95 5.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.5 m -99.17 131.47 45.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.0 mt -103.44 129.38 55.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.417 ' ND2' ' CD1' ' A' ' 31' ' ' ILE . 74.2 m-20 -102.05 116.48 32.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.446 ' C ' ' SD ' ' A' ' 74' ' ' MET . 56.5 mtp -118.94 120.56 37.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.453 ' N ' ' SD ' ' A' ' 74' ' ' MET . 1.7 p-10 -91.2 122.34 33.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.58 162.23 38.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -88.48 140.83 29.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.3 m -113.75 -46.34 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 t -171.96 -179.93 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 71' ' ' LYS . 75.9 m-20 43.65 50.57 6.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.827 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' ASP . 12.4 pt-20 34.39 33.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 69' ' ' ASP . 25.0 mtmt -109.34 165.7 11.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 29.5 mtp -127.89 154.83 45.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.45 169.81 19.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.453 ' SD ' ' N ' ' A' ' 64' ' ' ASN . 1.4 tpt -110.48 142.5 42.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -114.9 131.46 56.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.3 m -100.22 116.63 32.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 mp -108.81 92.81 4.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.85 93.78 2.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 50.9 t -99.27 136.06 39.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 91.2 mt -132.47 117.24 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.9 mt -92.87 117.86 67.7 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -173.53 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -92.8 -4.74 52.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.552 ' O ' ' C ' ' A' ' 85' ' ' TYR . 19.7 mtmm -91.14 -45.56 8.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.699 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.5 t80 -25.03 142.5 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.689 0.757 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.699 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.76 -10.92 11.73 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.344 -0.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.494 ' C ' ' O ' ' A' ' 86' ' ' PRO . . . -28.98 -76.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.059 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.48 ' CG1' ' CE ' ' A' ' 84' ' ' LYS . 2.9 m -101.31 127.29 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.0 mt -46.13 158.47 0.37 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.638 0.733 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.623 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.74 -169.18 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.646 2.231 . . . . 0.0 112.358 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -132.42 80.04 1.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.4 mt -90.12 140.61 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.9 m -134.63 100.99 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 49.6 t -73.13 124.89 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.152 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -136.06 130.28 33.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.8 t -148.84 119.9 7.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.7 m -42.22 -29.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.145 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.5 mt -61.02 -56.8 16.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.453 ' HA ' ' NE2' ' A' ' 103' ' ' GLN . 8.1 mt -68.91 158.06 35.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.43 ' H ' ' CG ' ' A' ' 103' ' ' GLN . 28.5 p -101.37 150.68 22.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.31 -20.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.6 m -80.2 -68.33 0.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.453 ' NE2' ' HA ' ' A' ' 99' ' ' LEU . 8.3 pt20 -58.56 -45.29 89.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -50.19 -37.07 33.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 79.1 m -54.76 -60.71 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -54.28 -44.42 71.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.8 tt -50.77 -50.73 55.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -51.08 -57.38 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 57.9 m -48.02 -55.23 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.172 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.74 -60.39 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.47 HD23 ' CG2' ' A' ' 132' ' ' VAL . 18.1 tp -39.01 -44.09 1.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 21.2 m -66.34 -53.28 38.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -41.02 -58.38 1.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.081 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.635 ' CG ' ' CD1' ' A' ' 131' ' ' TRP . 21.4 t80 -35.23 -62.95 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 116' ' ' GLN . 7.1 mt -57.93 -57.04 14.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 115' ' ' LEU . 28.0 mt-30 -35.19 -35.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 115' ' ' LEU . 28.3 tttt -96.59 -65.31 0.98 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -51.98 -62.59 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 8.8 m -107.84 103.22 12.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -126.6 87.41 2.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 109.66 39.32 1.62 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -153.02 169.56 22.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.892 0.377 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.461 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 31.5 m -101.93 90.87 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 5.2 m -135.04 103.61 5.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 33.8 mm -95.96 -38.83 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 17.3 mt -57.52 -37.72 73.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -51.73 -39.76 58.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.37 -60.84 2.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.072 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 68.0 p -47.09 -46.16 22.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -60.77 -29.32 69.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.694 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 18.4 t90 -85.35 -19.44 31.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.47 ' CG2' HD23 ' A' ' 111' ' ' LEU . 50.8 t -87.28 -57.3 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 134' ' ' GLU . 8.5 ptt-85 -42.37 -29.91 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' A' ' 133' ' ' ARG . 4.5 tm-20 -88.57 -67.65 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.694 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 13.5 m-70 -47.27 -52.76 15.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.76 -69.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.094 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 51.6 p -39.34 -37.63 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -61.63 -59.12 10.31 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -53.23 -44.07 67.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.377 . . . . 0.0 110.934 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 67.9 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.139 179.909 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.797 0.332 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -71.66 -51.58 22.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.942 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.86 -29.11 69.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -78.76 -40.7 32.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -46.3 -46.33 17.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -67.38 -69.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.1 tp -40.23 -53.84 2.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -38.74 -54.53 1.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.7 -61.33 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 26.6 mt -41.66 -58.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -46.83 -42.2 16.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.1 tp -70.4 -42.61 71.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.0 mt -54.0 -55.98 22.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.12 -43.98 3.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.4 m -78.23 -36.51 46.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 74.4 mmm -55.64 -33.27 63.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.681 0.753 . . . . 0.0 110.886 -179.925 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.768 0.318 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -92.99 -37.62 12.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.425 HD23 ' C ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -143.98 142.5 30.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mp -139.24 123.1 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.5 t -102.24 98.87 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -69.63 -48.52 59.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -84.6 98.67 10.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -88.75 -46.55 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' ALA . 2.2 mm? -40.29 -59.46 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LEU . . . -36.9 -45.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.059 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' ALA . 90.5 t -70.43 -66.98 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.15 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' VAL . . . -36.6 -46.96 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.46 -51.01 67.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 27.1 tp -54.33 -50.93 66.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -56.85 -52.77 63.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -55.7 -43.31 76.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 38.4 t -48.7 -64.2 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.4 mt -40.62 -45.16 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.914 0.388 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -78.7 152.46 31.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 42.7 t -78.37 97.25 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -96.99 128.02 43.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.971 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 3.8 p90 -158.34 127.46 5.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.0 m -93.99 141.29 28.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.1 mt -117.57 124.81 73.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.463 ' HB3' ' CE ' ' A' ' 74' ' ' MET . 63.4 m-80 -102.39 121.18 41.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.427 ' CE ' ' HB3' ' A' ' 133' ' ' ARG . 15.9 mtm -121.83 118.18 28.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.434 ' C ' ' HG ' ' A' ' 65' ' ' LEU . 6.8 m-20 -81.68 115.87 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.478 ' CD1' ' HA ' ' A' ' 133' ' ' ARG . 1.0 OUTLIER -146.69 154.05 40.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -69.02 144.98 53.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.432 HG21 ' N ' ' A' ' 68' ' ' SER . 27.5 m -118.2 -52.72 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.506 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 5.9 t -174.89 -174.99 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 68' ' ' SER . 1.4 m-20 34.98 51.23 0.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.424 ' HG2' ' C ' ' A' ' 69' ' ' ASP . 10.9 pt-20 41.51 46.17 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 68' ' ' SER . 1.3 ptmt -144.34 162.81 35.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.2 ptm -124.19 176.22 6.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.91 172.04 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.081 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.463 ' CE ' ' HB3' ' A' ' 62' ' ' ASN . 1.5 tpt -99.38 104.71 16.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.486 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 45.0 m-85 -89.83 111.31 22.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 55.3 m -93.77 118.47 31.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.7 mp -107.52 100.85 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.09 93.23 3.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 16.7 m -95.0 137.32 34.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 90.3 mt -140.08 124.9 19.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.183 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.4 mt -95.67 122.82 57.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -168.39 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.664 2.243 . . . . 0.0 112.35 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -93.98 -24.32 17.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 85' ' ' TYR . 8.9 mttt -76.66 -37.74 55.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.73 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.6 t80 -28.68 142.14 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.677 0.751 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.73 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 54.1 Cg_endo -69.75 -7.31 9.88 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.377 -0.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.506 ' HB1' ' CB ' ' A' ' 84' ' ' LYS . . . -32.13 -77.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 88' ' ' VAL . 1.9 m -97.2 125.05 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.419 ' CD2' ' HD2' ' A' ' 90' ' ' PRO . 15.2 mt -43.84 160.8 0.22 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.632 0.729 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.566 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.2 Cg_endo -69.76 177.03 5.99 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -117.43 78.62 1.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.465 ' CG2' HD22 ' A' ' 111' ' ' LEU . 59.0 mt -87.98 135.93 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 89.3 m -133.42 103.1 5.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.182 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.9 t -74.85 127.58 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.7 mmt85 -131.22 144.07 51.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.7 t -167.95 140.14 3.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.46 ' CG1' HD22 ' A' ' 98' ' ' LEU . 2.8 p -60.02 -37.7 73.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.46 HD22 ' CG1' ' A' ' 97' ' ' VAL . 11.3 mt -58.38 -57.12 14.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.54 131.05 49.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.0 p -82.64 160.41 22.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -44.88 -47.12 11.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.4 m -67.39 -63.81 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -43.05 -56.92 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -46.05 -47.98 16.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 62.5 m -43.08 -43.39 4.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.131 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.41 ' NE2' ' OD2' ' A' ' 110' ' ' ASP . 25.3 tp60 -68.15 -74.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.462 HD21 ' N ' ' A' ' 108' ' ' ASN . 5.0 tt -39.95 -51.11 2.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.462 ' N ' HD21 ' A' ' 107' ' ' LEU . 2.4 t-20 -49.13 -50.76 35.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 86.1 m -66.54 -49.54 66.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.41 ' OD2' ' NE2' ' A' ' 106' ' ' GLN . 8.6 m-20 -50.01 -52.03 37.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.465 HD22 ' CG2' ' A' ' 92' ' ' ILE . 10.5 tp -41.14 -54.79 2.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 97.8 m -57.36 -55.5 33.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -42.86 -55.92 3.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 113' ' ' ALA . 16.6 t80 -37.02 -54.97 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 117' ' ' LYS . 69.6 mt -60.38 -58.99 6.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.407 ' HG2' ' CD1' ' A' ' 89' ' ' LEU . 11.4 mt-30 -39.39 -27.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 115' ' ' LEU . 0.1 OUTLIER -97.1 -66.67 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -60.69 -66.46 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 2.2 m -114.46 113.18 24.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -146.79 109.79 4.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 113.66 -14.15 22.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.46 166.85 11.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.796 0.331 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 30.5 m -86.5 109.63 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 3.3 m -158.48 106.24 1.91 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 16.5 mm -94.79 -43.09 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 127' ' ' ASN . 12.0 mt -49.38 -57.03 7.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 126' ' ' LEU . 11.9 m120 -34.39 -37.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 126' ' ' LEU . . . -71.61 -53.44 13.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.102 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 69.3 p -60.08 -16.91 35.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -84.32 -20.0 32.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.537 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 13.8 t90 -94.8 -25.89 16.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 42.2 t -81.01 -53.2 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.146 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.478 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 5.4 ppt_? -39.72 -30.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -94.62 -65.44 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.537 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 5.0 m-70 -45.25 -50.76 11.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.486 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -33.67 -70.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 16.3 t -50.46 -37.37 38.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -51.41 -41.73 48.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -74.68 -51.24 14.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.912 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 61.0 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.941 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.817 0.342 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -63.55 -52.18 62.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.68 -37.32 63.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -73.9 -41.84 61.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -38.92 -52.42 1.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -68.9 -47.69 65.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.454 HD22 ' CD1' ' A' ' 45' ' ' ILE . 37.3 tp -52.36 -63.51 1.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.09 -56.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -52.34 -43.03 64.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' LEU . 60.9 mt -65.83 -66.59 0.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -44.63 -48.71 10.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 tt -55.54 -58.89 5.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 21' ' ' ALA . 29.2 mt -40.67 -55.22 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -37.29 -44.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.083 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t -75.79 -40.71 54.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 77.4 mmm -55.32 -30.29 59.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.548 ' CE2' HG23 ' A' ' 61' ' ' ILE . 8.2 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.7 0.762 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.722 0.296 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -95.35 -58.53 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.411 HD23 ' C ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -113.43 141.1 47.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.1 mp -133.25 124.15 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.7 t -105.88 94.12 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -61.31 -58.21 9.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.68 87.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -79.59 -51.26 9.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.4 tp -49.45 -47.42 48.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.0 -44.63 51.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 80.7 t -69.79 -47.5 69.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.91 -56.11 9.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.091 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -51.76 -47.21 64.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.8 tp -48.75 -34.51 12.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -75.73 -66.06 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -42.64 -36.03 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 78.0 m -64.37 -51.02 65.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.454 ' CD1' HD22 ' A' ' 14' ' ' LEU . 20.4 mt -66.77 -44.41 89.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.933 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.4 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.911 0.386 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -80.87 135.2 35.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.401 ' CG1' HD23 ' A' ' 17' ' ' LEU . 57.8 t -59.35 95.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -101.73 124.01 46.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 10.9 p90 -155.57 121.59 5.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.5 m -91.23 143.25 26.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.548 HG23 ' CE2' ' A' ' 24' ' ' PHE . 62.8 mt -116.71 123.15 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.405 ' HB3' ' CE ' ' A' ' 74' ' ' MET . 75.8 m-20 -97.42 107.51 20.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.3 mtm -110.31 122.03 46.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.434 ' HB2' ' CE ' ' A' ' 72' ' ' MET . 17.9 p30 -92.08 109.09 20.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.419 HD13 ' CB ' ' A' ' 133' ' ' ARG . 3.2 mt -129.52 147.52 51.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -76.78 128.72 35.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.456 ' CG2' ' N ' ' A' ' 68' ' ' SER . 22.6 m -106.34 -48.95 8.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.456 ' N ' ' CG2' ' A' ' 67' ' ' VAL . 15.1 p -169.56 172.41 7.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 71' ' ' LYS . 10.4 m-20 46.52 52.68 10.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 38.01 29.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -117.72 174.57 6.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.434 ' CE ' ' HB2' ' A' ' 64' ' ' ASN . 6.6 ptm -147.07 158.47 43.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.445 ' CB ' HD13 ' A' ' 98' ' ' LEU . . . -128.1 162.13 27.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.405 ' CE ' ' HB3' ' A' ' 62' ' ' ASN . 4.1 tpt -92.71 119.14 31.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -97.4 123.66 41.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.6 m -97.52 113.94 25.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.3 mp -108.92 93.88 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.959 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.98 94.98 1.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 12.3 m -93.02 122.79 35.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 96.0 mt -126.25 116.08 44.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.438 HD23 ' CD1' ' A' ' 125' ' ' ILE . 22.1 mt -99.04 117.21 64.6 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.58 0.705 . . . . 0.0 110.935 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -172.26 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.667 2.245 . . . . 0.0 112.371 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -86.48 -28.41 23.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.52 ' O ' ' C ' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -67.59 -45.87 74.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.761 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.1 t80 -27.89 142.48 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.699 0.761 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.761 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.75 -9.36 10.95 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.748 -1.772 . . . . 0.0 112.336 -0.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 86' ' ' PRO . . . -31.63 -77.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.482 ' CG1' ' HE3' ' A' ' 84' ' ' LYS . 2.3 m -95.72 124.68 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 88' ' ' VAL . 0.7 OUTLIER -39.7 161.29 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.611 0.719 . . . . 0.0 110.885 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.578 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.4 Cg_endo -69.72 -169.64 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -133.26 64.13 1.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 78.3 mt -75.69 138.33 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 99.1 m -134.07 99.77 4.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.4 t -73.43 137.84 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 34.2 mmt-85 -147.45 137.65 23.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.8 t -151.5 137.24 17.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.1 m -59.04 -33.72 51.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.09 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.445 HD13 ' CB ' ' A' ' 73' ' ' ALA . 18.4 mt -64.81 -51.15 63.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.8 mt -63.97 173.08 1.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 84.1 p -113.4 174.19 6.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -38.96 91.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.8 m -77.3 -59.43 2.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -48.81 -62.42 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.9 tp60 -38.54 -51.26 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 92.1 m -45.79 -64.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.158 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -39.88 -58.41 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.8 tt -41.64 -53.6 3.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -53.32 -54.85 30.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 43.1 m -42.46 -37.81 1.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.527 ' HB3' ' CZ2' ' A' ' 131' ' ' TRP . 0.7 OUTLIER -80.43 -57.25 3.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 110' ' ' ASP . 8.4 tp -36.69 -59.46 0.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.47 HG23 ' NE2' ' A' ' 116' ' ' GLN . 27.6 m -57.05 -61.17 2.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 112' ' ' THR . . . -37.84 -51.07 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.458 ' CG ' ' CD1' ' A' ' 131' ' ' TRP . 27.4 t80 -39.6 -62.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 119' ' ' CYS . 10.3 mt -57.18 -61.91 2.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.47 ' NE2' HG23 ' A' ' 112' ' ' THR . 11.4 mt-30 -36.48 -34.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 115' ' ' LEU . 10.5 tptm -84.33 -64.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -68.73 -58.32 4.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 115' ' ' LEU . 60.7 m -97.38 100.59 12.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -123.9 126.67 46.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 71.21 40.37 61.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -151.37 -177.8 6.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.434 ' O ' ' CG2' ' A' ' 123' ' ' VAL . 32.1 m -118.44 91.96 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 2.6 t -129.04 99.82 5.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.438 ' CD1' HD23 ' A' ' 81' ' ' LEU . 25.0 mm -91.36 -32.9 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 127' ' ' ASN . 12.9 mt -60.89 -60.64 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 126' ' ' LEU . 20.2 t-20 -34.47 -35.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 126' ' ' LEU . . . -66.73 -51.37 56.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.09 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 126' ' ' LEU . 43.6 p -61.92 -32.26 72.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.166 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -75.55 -22.44 57.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.639 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 40.0 t90 -89.38 -17.6 28.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 134' ' ' GLU . 17.8 t -88.21 -63.52 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.419 ' CB ' HD13 ' A' ' 65' ' ' LEU . 6.9 ptm180 -37.08 -29.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 132' ' ' VAL . 23.7 tt0 -88.86 -61.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.639 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 16.3 m-70 -54.23 -53.62 51.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.97 -66.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 136' ' ' ALA . 94.3 p -35.0 -43.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -57.21 -58.51 14.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.449 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -61.93 -52.51 63.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.943 0.401 . . . . 0.0 110.976 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 97.1 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.16 179.843 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.736 0.303 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -43.45 -54.27 4.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.07 -44.81 64.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -65.4 -38.1 88.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -49.92 -51.09 43.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -70.73 -39.9 73.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 15' ' ' ALA . 33.9 tp -57.22 -65.21 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.75 -59.9 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.5 ' OE2' ' N ' ' A' ' 124' ' ' CYS . 25.2 tt0 -45.94 -50.51 14.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.5 mt -55.89 -69.59 0.14 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -43.28 -42.06 4.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 20' ' ' LEU . 4.8 tt -57.4 -65.62 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 23' ' ' MET . 10.8 mt -36.17 -58.63 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.13 -46.84 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.4 m -68.62 -42.74 77.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 20' ' ' LEU . 93.8 mmm -55.21 -35.52 64.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.655 0.741 . . . . 0.0 110.867 -179.935 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.9 p30 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.835 0.35 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -93.2 -40.91 10.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.422 ' C ' HD21 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -141.86 140.87 33.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.97 117.03 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.453 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 53.1 t -92.23 94.87 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -58.11 -56.1 26.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.18 105.23 9.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 32' ' ' VAL . 9.0 mp0 -94.35 -36.42 11.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.6 tt -61.45 -45.1 95.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.37 -40.73 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.9 t -72.84 -48.36 45.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.29 -48.6 24.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.1 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -60.4 -47.41 86.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.8 tp -52.34 -44.68 65.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -71.45 -63.3 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -41.46 -32.5 0.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.9 m -69.83 -64.45 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.7 mt -51.08 -46.54 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.4 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.921 0.391 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -67.21 147.3 53.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.0 t -72.55 98.42 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -98.77 124.23 43.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -155.84 133.81 11.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 41.9 m -103.21 150.63 23.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.9 mt -123.6 122.38 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -94.43 109.71 21.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 54.4 mtp -111.02 112.84 24.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -88.05 111.88 22.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.1 mt -131.88 155.77 47.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -82.17 118.67 23.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.475 ' CG2' ' N ' ' A' ' 68' ' ' SER . 26.7 m -91.78 -51.18 11.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . 0.475 ' N ' ' CG2' ' A' ' 67' ' ' VAL . 40.3 p -174.57 178.64 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 47.81 47.85 17.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 42.88 27.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -119.51 179.18 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.8 ptm -147.25 164.56 32.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -132.63 175.14 9.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.9 ttm -106.59 115.89 30.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.503 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 11.6 m-85 -96.52 114.14 25.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 m -93.45 114.32 26.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.806 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 mp -104.71 96.21 6.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.98 100.01 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 60.7 m -98.88 137.39 37.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 68.2 mt -138.99 113.71 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.157 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.7 mt -92.18 114.66 62.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.619 0.723 . . . . 0.0 110.956 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -172.75 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -88.04 -12.79 43.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.54 ' O ' ' C ' ' A' ' 85' ' ' TYR . 20.5 mmtt -80.01 -51.4 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.663 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.9 t80 -26.3 141.07 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.731 0.777 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.663 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.73 -12.4 12.12 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.384 -0.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 86' ' ' PRO . . . -33.09 -73.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.462 ' CG2' ' HB2' ' A' ' 84' ' ' LYS . 3.2 m -99.48 122.13 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.472 ' CD2' ' HD2' ' A' ' 90' ' ' PRO . 8.3 mt -42.9 161.78 0.18 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.617 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.74 -175.22 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.376 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -128.24 59.92 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.1 mt -66.46 133.91 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 53.5 m -127.02 101.9 6.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.413 ' CG2' ' CD2' ' A' ' 111' ' ' LEU . 13.4 t -78.48 139.8 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -147.54 158.66 44.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 43.0 t -163.42 152.89 14.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 4.7 m -79.45 -7.88 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 39.6 mt -97.58 -43.29 7.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.5 mt -72.58 139.2 47.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.4 p -80.05 153.37 28.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -27.95 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 m -79.22 -64.63 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -48.25 -56.53 7.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -44.13 -52.13 7.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 86.3 m -41.23 -49.16 3.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -56.11 -63.03 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.418 ' CD2' ' C ' ' A' ' 107' ' ' LEU . 5.7 tt -41.23 -35.27 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -69.7 -59.95 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 89.2 m -44.28 -31.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 111' ' ' LEU . 83.4 m-20 -88.67 -47.92 7.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.532 HD11 ' CE3' ' A' ' 131' ' ' TRP . 14.2 tp -36.45 -46.29 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 113' ' ' ALA . 5.3 m -68.24 -59.87 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 112' ' ' THR . . . -34.02 -46.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . 0.667 ' CG ' ' CD1' ' A' ' 131' ' ' TRP . 30.8 t80 -51.76 -64.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 119' ' ' CYS . 13.6 mt -64.02 -24.77 67.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.469 ' HB2' ' CD1' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -80.46 -23.79 39.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 113' ' ' ALA . 22.1 tptt -68.58 -56.38 8.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -103.27 -53.6 2.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' CYS . . . . . 0.462 ' C ' ' O ' ' A' ' 115' ' ' LEU . 13.3 m -75.61 52.48 0.65 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -76.0 93.65 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 98.86 -55.23 1.0 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.485 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -39.45 148.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.898 0.38 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 19.5 m -80.72 111.79 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' CYS . . . . . 0.5 ' N ' ' OE2' ' A' ' 16' ' ' GLU . 16.8 m -161.91 105.77 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.412 HG12 ' CD ' ' A' ' 16' ' ' GLU . 24.5 mm -96.25 -30.71 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 128' ' ' ALA . 13.0 mt -59.82 -57.39 13.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.96 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.424 ' C ' HD21 ' A' ' 115' ' ' LEU . 5.4 m120 -36.53 -29.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 126' ' ' LEU . . . -71.22 -57.29 4.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 67.2 p -55.22 -55.97 25.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -52.58 -23.66 6.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.735 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 4.6 t90 -88.34 -20.59 25.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 20.9 t -85.86 -51.98 12.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.145 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -50.3 -28.49 7.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -87.82 -50.38 6.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' HIS . . . . . 0.735 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 22.6 m-70 -67.68 -58.84 3.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . 0.503 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -34.11 -63.96 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.058 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 136' ' ' ALA . 26.4 p -37.13 -44.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.62 -50.74 64.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -61.5 -44.15 97.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.961 0.41 . . . . 0.0 110.941 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.407 ' CG1' ' HB ' ' A' ' 67' ' ' VAL . 61.4 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.106 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 m -79.22 132.15 36.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.81 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 t -112.77 148.87 33.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.82 -160.51 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.491 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 m -107.69 141.16 39.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.932 0.396 . . . . 0.0 110.832 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.6 t -45.43 165.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.5 59.02 5.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -62.28 -33.37 74.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.361 . . . . 0.0 110.958 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -52.31 -51.3 59.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.2 -38.38 76.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -74.6 -29.83 61.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.21 -36.87 83.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -79.49 -60.1 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.1 tp -45.13 -53.59 7.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -39.99 -58.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 19' ' ' LEU . 12.1 tt0 -52.78 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.2 mt -38.73 -53.11 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -53.39 -39.54 64.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 16' ' ' GLU . 13.0 tp -69.34 -57.35 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' ALA . 25.5 mt -40.49 -57.46 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -35.75 -41.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t -75.41 -45.03 41.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' LEU . 97.3 mmm -50.95 -25.83 5.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -122.22 81.17 44.68 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.729 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -24.25 29.6 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.95 165.46 0.28 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -90.8 -33.65 15.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.952 0.406 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -117.66 46.06 1.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -106.52 -41.67 5.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.64 131.72 23.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.454 HD12 ' ND2' ' A' ' 62' ' ' ASN . 4.6 mp -133.19 129.82 57.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.0 p -108.26 121.4 61.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.47 -39.87 18.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -95.32 79.03 3.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.427 ' NE2' ' HA ' ' A' ' 35' ' ' GLN . 4.4 tp-100 -75.41 -38.57 59.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.1 tp -48.68 -43.32 36.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.32 -54.25 11.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.9 t -56.03 -51.47 61.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.42 -44.6 24.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.077 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -65.4 -34.63 78.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.4 tp -71.41 -25.86 62.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -83.6 -36.52 23.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -76.54 -43.26 39.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.836 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 9.9 p -49.57 -39.42 34.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.5 mt -65.98 -50.45 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -58.75 -51.57 69.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -70.82 -18.51 62.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.5 mttm 47.06 42.75 13.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 t -118.36 -9.16 10.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 40.67 43.56 1.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -133.98 87.23 2.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.98 -59.78 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.457 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -38.1 101.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.812 0.339 . . . . 0.0 110.92 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.5 t -112.29 -15.11 13.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 m -121.97 146.67 46.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -81.13 145.09 31.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -69.48 97.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -101.21 126.53 47.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 43.9 p90 -154.55 132.35 11.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.6 m -97.44 148.79 22.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.5 mt -123.53 116.69 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.454 ' ND2' HD12 ' A' ' 31' ' ' ILE . 67.0 m-80 -93.07 115.71 28.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 34.5 mtp -118.08 123.72 46.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.464 ' N ' ' HE1' ' A' ' 74' ' ' MET . 34.8 p-10 -87.01 113.97 23.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.36 161.94 36.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -93.97 147.14 23.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.407 ' CG2' ' N ' ' A' ' 68' ' ' SER . 27.1 m -116.57 -51.76 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.407 ' N ' ' CG2' ' A' ' 67' ' ' VAL . 3.1 m -166.53 -179.44 4.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 45.11 41.23 5.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 41.6 35.68 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -113.0 164.25 13.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.3 mtp -122.56 159.3 28.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.459 ' CB ' HD23 ' A' ' 98' ' ' LEU . . . -154.91 159.49 40.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.464 ' HE1' ' N ' ' A' ' 64' ' ' ASN . 2.2 tpt -91.84 141.17 28.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.555 ' CE2' ' HB3' ' A' ' 136' ' ' ALA . 9.3 m-85 -120.58 109.97 15.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.1 m -85.92 122.68 30.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.812 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.8 mp -114.89 93.5 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.25 93.36 1.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 30.4 m -92.94 133.56 35.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.8 mt -127.99 123.39 60.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.8 mt -97.51 111.7 59.23 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.578 0.704 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -179.49 2.98 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.331 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -90.63 27.35 1.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.489 ' O ' ' C ' ' A' ' 85' ' ' TYR . 4.2 mttm -125.12 -43.05 1.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.628 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.8 t80 -31.24 140.73 0.15 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.669 0.747 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.628 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.8 -8.66 10.7 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.381 -0.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.487 ' HB1' ' CB ' ' A' ' 84' ' ' LYS . . . -31.91 -73.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.4 m -109.13 130.75 61.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 43.5 mt -51.06 153.63 3.06 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.594 0.712 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.594 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.2 Cg_endo -69.74 176.8 6.28 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.711 2.274 . . . . 0.0 112.287 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -107.31 55.37 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.415 ' CG2' HD23 ' A' ' 111' ' ' LEU . 61.0 mt -59.85 118.15 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 89.8 m -120.18 103.06 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.0 t -76.81 135.32 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -142.48 141.91 32.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 98' ' ' LEU . 6.4 t -166.59 121.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.7 m -39.5 -29.27 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.104 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.463 ' N ' HD13 ' A' ' 98' ' ' LEU . 8.8 mp -60.77 -55.85 28.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.0 mt -71.27 137.57 48.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 89.9 p -86.16 177.65 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -57.74 -48.63 79.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.8 m -61.47 -64.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 104' ' ' GLN . 33.0 mm-40 -49.74 -67.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 103' ' ' GLN . 16.0 tp60 -34.47 -49.97 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 52.1 m -50.9 -64.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -51.01 -46.86 61.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.443 HD13 ' CD2' ' A' ' 139' ' ' TYR . 9.2 tt -49.8 -61.51 2.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -49.84 -60.58 2.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 94.8 m -39.39 -36.83 0.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 111' ' ' LEU . 0.7 OUTLIER -76.79 -57.02 4.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.415 HD23 ' CG2' ' A' ' 92' ' ' ILE . 15.4 tp -37.48 -42.66 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.9 m -65.93 -51.84 55.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -49.1 -50.32 37.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 113' ' ' ALA . 14.0 t80 -36.04 -59.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 116' ' ' GLN . 12.1 mt -61.89 -57.58 11.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 115' ' ' LEU . 79.2 mt-30 -34.82 -34.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 115' ' ' LEU . 0.1 OUTLIER -93.54 -64.64 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -63.42 -65.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 60.4 m -97.88 105.56 17.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -134.92 111.13 9.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 85.63 36.13 10.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -151.89 166.83 30.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.405 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 17.0 m -96.98 86.89 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 83.0 m -132.86 92.49 3.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.3 mm -89.31 -22.95 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 128' ' ' ALA . 56.7 mt -73.16 -51.51 17.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 126' ' ' LEU . 5.9 m120 -36.69 -29.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 126' ' ' LEU . . . -77.31 -61.94 1.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.073 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 72.1 p -43.03 -32.39 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -74.72 -37.93 62.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.496 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 38.7 t90 -72.96 -20.09 61.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 134' ' ' GLU . 39.4 t -80.95 -67.33 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 132' ' ' VAL . 14.3 ptm180 -36.48 -31.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 132' ' ' VAL . 9.5 mt-10 -79.6 -61.43 2.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.496 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 13.9 m-70 -64.97 -55.07 21.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.555 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . . . -33.93 -68.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 14.9 m -40.65 -41.78 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -65.41 -50.37 55.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.47 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.443 ' CD2' HD13 ' A' ' 107' ' ' LEU . 32.6 m-85 -51.43 -48.54 62.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.904 0.383 . . . . 0.0 110.893 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 10.8 t -56.15 122.3 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.129 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.4 t -119.4 112.61 19.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.804 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -126.65 120.67 30.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -122.82 87.8 2.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 4.2 t -123.0 25.42 8.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.0 t -153.95 112.94 3.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 79.8 p -100.77 159.5 15.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 25.0 t -90.07 164.49 14.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 75.9 84.16 0.42 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 141.14 44.51 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.637 2.225 . . . . 0.0 112.344 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 68.5 m -103.41 135.75 44.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 5.4 t -110.89 142.48 42.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.478 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 m -132.49 92.76 3.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 0.0 110.855 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 m -114.03 162.43 16.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.26 119.81 0.86 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 m -84.88 150.94 24.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 p -78.31 147.87 34.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.805 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.61 52.83 0.61 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -75.6 -63.19 1.35 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.911 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -40.82 -48.28 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.06 -40.19 30.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.072 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' ALA . 34.1 mt-10 -66.59 -51.52 55.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . -35.3 -65.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -47.8 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 15' ' ' ALA . 31.5 tp -40.89 -51.77 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.77 -67.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -47.78 -61.42 1.96 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.7 mt -41.34 -46.42 3.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -57.82 -43.95 86.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.1 tp -66.02 -46.1 79.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 21' ' ' ALA . 9.0 mt -55.6 -63.34 1.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -36.52 -47.37 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -66.74 -44.29 81.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 62.4 mmm -55.21 -41.21 71.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -103.26 100.35 17.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.624 0.726 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -42.73 3.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.26 . . . . 0.0 112.341 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 29' ' ' GLU . . . 168.38 -116.0 0.64 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 26' ' ' GLY . 38.8 tt0 33.72 53.9 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 50.83 43.94 28.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' GLY . 47.8 mm-40 -91.37 -64.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.48 139.32 45.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.466 HD13 ' ND2' ' A' ' 62' ' ' ASN . 5.1 mp -131.86 121.63 47.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.409 ' CG1' ' O ' ' A' ' 34' ' ' ASP . 55.3 t -102.12 94.53 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -61.07 -52.85 63.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.409 ' O ' ' CG1' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -75.03 133.47 41.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.401 ' NE2' HG13 ' A' ' 32' ' ' VAL . 79.6 mm-40 -123.96 -34.12 3.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -56.32 -63.52 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -38.05 -54.46 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.87 -56.01 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.95 -40.59 22.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -69.03 -43.81 73.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.0 tp -56.33 -52.43 64.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -58.43 -47.1 85.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -60.17 -39.88 87.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 78.0 m -54.21 -49.94 68.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.5 mt -56.93 -51.01 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -58.69 -49.5 77.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -70.39 -3.51 17.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.8 mttp 43.75 47.32 6.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.9 t -152.74 105.96 3.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.55 88.24 2.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -62.38 -55.07 31.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.7 91.48 0.19 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -52.2 135.45 32.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.0 t -105.96 -39.46 6.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.1 m -107.95 133.33 52.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.43 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 3.9 mtmp? -77.63 145.17 36.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.7 t -65.34 106.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -100.77 126.12 47.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 18.9 p90 -157.93 128.21 6.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.412 HG21 ' N ' ' A' ' 61' ' ' ILE . 74.9 m -95.87 151.33 19.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.412 ' N ' HG21 ' A' ' 60' ' ' THR . 22.7 mt -124.5 116.66 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.466 ' ND2' HD13 ' A' ' 31' ' ' ILE . 84.8 m-20 -92.83 125.66 37.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 41.5 mtp -131.63 114.18 14.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -84.02 123.99 30.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.4 mt -143.74 148.01 35.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -75.34 134.67 40.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.439 ' CG2' ' N ' ' A' ' 68' ' ' SER . 34.4 m -107.31 -51.44 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.439 ' N ' ' CG2' ' A' ' 67' ' ' VAL . 2.4 m -174.52 177.23 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.0 t0 49.96 36.38 11.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 52.58 29.5 7.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -119.52 175.69 5.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.7 ptm -144.92 168.03 21.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.66 169.7 17.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.8 ttm -98.56 134.34 41.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -114.77 112.55 22.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 66.0 m -90.69 113.05 25.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.4 mp -103.56 95.97 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.07 93.27 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 31.0 m -93.43 137.64 32.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.43 ' CG2' ' HB3' ' A' ' 56' ' ' LYS . 56.8 mt -139.46 123.41 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.4 mt -90.95 113.92 59.73 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.588 0.709 . . . . 0.0 110.972 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 178.29 4.74 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.391 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -90.88 26.92 1.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.497 ' CB ' ' HB3' ' A' ' 87' ' ' ALA . 4.9 mttt -126.74 -41.74 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.612 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 3.1 t80 -33.21 140.76 0.22 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.68 0.752 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.612 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.78 -9.37 11.01 Favored 'Cis proline' 0 C--N 1.342 0.221 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.335 -0.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.497 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -31.09 -70.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.403 ' O ' HG23 ' A' ' 88' ' ' VAL . 8.2 m -112.41 128.87 68.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.2 mp -42.91 158.24 0.23 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.633 0.73 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.58 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.85 -166.82 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -131.98 73.93 1.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.1 mt -80.96 136.13 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.2 m -124.61 113.52 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.191 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.9 t -91.09 119.44 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -130.71 143.46 50.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.6 t -159.46 140.55 12.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 98' ' ' LEU . 9.8 p -58.29 -30.25 39.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.471 ' N ' HG12 ' A' ' 97' ' ' VAL . 13.0 mt -69.39 -55.32 10.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.423 ' CD1' ' OE1' ' A' ' 104' ' ' GLN . 8.0 mt -70.18 150.27 46.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.413 ' HB2' ' CD ' ' A' ' 103' ' ' GLN . 3.4 m -104.72 160.84 14.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -49.26 -33.06 11.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 t -66.14 -69.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.413 ' CD ' ' HB2' ' A' ' 100' ' ' SER . 0.8 OUTLIER -58.88 -52.15 66.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.952 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.423 ' OE1' ' CD1' ' A' ' 99' ' ' LEU . 28.3 tp60 -43.69 -45.07 6.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 51.3 m -58.23 -46.0 86.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.9 tp60 -61.6 -43.82 98.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.452 HD13 ' CD2' ' A' ' 139' ' ' TYR . 9.0 tt -58.81 -53.5 57.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -50.71 -59.62 3.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 58.4 m -43.61 -35.37 1.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.47 -50.12 14.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.568 HD13 ' CE3' ' A' ' 131' ' ' TRP . 27.3 tp -45.93 -47.43 16.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.0 m -66.19 -45.89 79.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.26 -49.74 68.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.134 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.52 ' CG ' ' CD1' ' A' ' 131' ' ' TRP . 3.9 t80 -41.21 -53.53 3.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.8 mt -66.02 -47.52 74.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -46.58 -21.63 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.406 ' HG3' ' CD2' ' A' ' 118' ' ' HIS . 13.8 tppt? -95.74 -64.71 1.03 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.406 ' CD2' ' HG3' ' A' ' 117' ' ' LYS . 30.5 m-70 -75.62 -66.55 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 62.7 m -83.56 94.42 8.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -136.88 130.88 32.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 70.7 35.62 66.86 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -154.89 -178.26 7.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.502 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 35.3 m -111.51 104.4 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 7.5 m -152.69 104.99 2.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 28.7 mm -93.75 -55.07 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mt -42.91 -44.95 4.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -39.33 -38.78 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.3 -44.62 67.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 64.8 p -59.49 -36.0 75.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -75.9 -17.24 59.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.744 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 11.8 t90 -94.13 -18.2 22.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.434 ' CG2' HD22 ' A' ' 111' ' ' LEU . 41.6 t -86.62 -57.38 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -43.3 -29.79 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -85.95 -67.82 0.78 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.744 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 28.6 m-70 -51.55 -53.12 41.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.65 -69.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.057 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 136' ' ' ALA . 74.5 p -36.02 -43.03 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -59.73 -48.74 84.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.452 ' CD2' HD13 ' A' ' 107' ' ' LEU . 82.1 m-85 -62.96 -52.5 62.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.942 0.401 . . . . 0.0 110.939 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 78.9 t -42.21 103.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.161 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.9 m -129.3 146.14 51.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -136.76 141.38 42.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -166.12 116.78 1.0 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 40.1 p -82.53 89.85 6.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.176 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 36.6 t -118.3 81.48 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 27.1 p -168.62 150.23 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 37.7 t -145.9 140.14 26.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 53.9 70.09 1.04 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -40.15 5.78 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.721 2.281 . . . . 0.0 112.358 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 5.5 m -152.77 161.76 42.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 9.1 t -161.84 177.16 10.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.825 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -147.63 160.01 43.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.4 m -56.5 169.1 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.98 -52.16 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.54 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.0 p -137.13 119.35 15.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.834 0.35 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 t -85.86 -61.02 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.21 59.55 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -65.13 -25.37 67.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -47.03 -42.99 19.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.16 -42.69 86.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' ALA . 39.1 mt-10 -64.39 -54.54 31.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . -37.65 -39.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -74.35 -63.94 1.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 15' ' ' ALA . 36.3 tp -45.92 -56.2 5.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.87 -53.61 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -60.25 -61.83 2.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.5 mt -42.75 -54.0 4.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -51.43 -42.44 61.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.5 tp -66.54 -50.82 61.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 23' ' ' MET . 43.7 mt -50.8 -61.2 2.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -37.03 -42.11 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.1 m -79.92 -39.39 30.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 20' ' ' LEU . 73.7 mmm -50.38 -45.0 55.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.492 ' CB ' ' CD ' ' A' ' 29' ' ' GLU . 55.0 m-85 -104.47 93.39 5.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.665 0.745 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -31.17 21.12 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.283 . . . . 0.0 112.359 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -40.73 158.4 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -83.08 -47.52 11.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.889 0.376 . . . . 0.0 110.927 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -105.58 57.35 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.492 ' CD ' ' CB ' ' A' ' 24' ' ' PHE . 2.4 pp20? -117.22 -38.74 3.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.438 ' CB ' ' OE1' ' A' ' 29' ' ' GLU . 1.6 tt -144.0 123.58 13.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mp -123.68 118.12 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.455 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 43.2 t -98.03 98.22 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.51 -44.97 81.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -78.32 98.56 5.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 32' ' ' VAL . 8.9 mp0 -88.78 -36.65 15.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 tp -59.04 -40.51 85.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.95 69.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.058 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -82.19 -54.06 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.84 -43.88 39.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -68.18 -42.86 79.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.8 tp -56.36 -45.7 80.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -57.07 -51.06 70.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -58.32 -56.62 19.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.3 m -38.51 -49.11 1.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 80.6 mt -59.36 -57.76 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -50.28 -44.9 54.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -73.83 -25.2 59.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt 61.61 40.24 13.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 t -130.76 40.98 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -50.6 102.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -100.77 -33.67 10.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 145.54 100.15 0.28 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.473 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -52.72 168.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 t -134.28 21.67 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.8 m -147.51 123.71 10.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.829 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 mttp -79.7 136.49 36.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.2 t -70.03 101.63 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -106.9 119.04 38.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -149.45 130.16 14.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.419 HG22 ' N ' ' A' ' 61' ' ' ILE . 96.9 m -97.69 148.5 23.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.419 ' N ' HG22 ' A' ' 60' ' ' THR . 62.8 mt -122.99 120.22 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -92.53 110.39 21.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 39.2 mtp -117.44 115.24 24.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.445 ' N ' ' SD ' ' A' ' 74' ' ' MET . 25.1 p30 -86.7 115.07 23.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.439 ' CD1' ' HA ' ' A' ' 133' ' ' ARG . 0.4 OUTLIER -140.78 162.15 36.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -82.26 145.59 29.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.47 ' HB ' ' CG1' ' A' ' 140' ' ' VAL . 3.7 m -126.87 -47.91 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -166.0 179.22 5.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.828 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 70' ' ' GLU . 19.3 m-20 45.45 43.01 8.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 69' ' ' ASP . 13.5 tt0 37.06 36.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -117.4 170.45 8.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.8 mtp -121.08 158.43 27.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.434 ' CB ' HD13 ' A' ' 98' ' ' LEU . . . -154.53 159.3 40.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.445 ' SD ' ' N ' ' A' ' 64' ' ' ASN . 1.6 tpt -96.95 151.22 19.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -126.91 131.66 51.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -96.31 112.23 24.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.2 mp -106.6 92.71 4.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.5 95.67 3.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 44.3 t -97.55 115.68 28.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 85.4 mt -113.29 125.7 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.6 mt -94.57 118.87 66.87 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.648 0.737 . . . . 0.0 110.923 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -170.56 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.322 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -99.12 24.86 7.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.485 ' CB ' ' HB1' ' A' ' 87' ' ' ALA . 6.9 mttp -124.28 -38.6 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.638 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 3.0 t80 -33.88 140.89 0.24 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.686 0.755 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.638 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.79 -10.23 11.45 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 -1.804 . . . . 0.0 112.331 -0.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.488 ' C ' ' O ' ' A' ' 86' ' ' PRO . . . -30.56 -72.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.401 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 2.9 m -109.0 127.58 65.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 29.2 mt -46.38 158.04 0.41 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.605 0.717 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.593 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.2 Cg_endo -69.81 -173.02 0.65 Allowed 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.725 2.283 . . . . 0.0 112.311 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -125.48 62.81 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 43.2 mt -68.51 135.02 29.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.8 m -125.95 98.94 5.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.424 ' CG1' HD21 ' A' ' 107' ' ' LEU . 75.8 t -76.13 133.75 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -145.02 158.02 43.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.1 t -169.34 121.46 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.6 t -41.79 -37.57 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.434 HD13 ' CB ' ' A' ' 73' ' ' ALA . 4.7 mt -56.02 -56.58 19.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.6 mt -58.83 178.52 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 102' ' ' SER . 49.2 m -122.83 140.12 53.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 100' ' ' SER . 15.0 tpt180 -35.95 -30.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 100' ' ' SER . 4.1 m -82.48 -56.19 4.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -52.11 -58.11 7.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.457 ' OE1' ' ND2' ' A' ' 108' ' ' ASN . 4.5 tp-100 -44.87 -49.32 10.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 57.7 m -41.01 -39.9 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -72.7 -42.06 64.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.424 HD21 ' CG1' ' A' ' 94' ' ' VAL . 10.3 tt -54.64 -54.21 44.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.457 ' ND2' ' OE1' ' A' ' 104' ' ' GLN . 16.0 m-80 -53.73 -60.92 2.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 85.5 m -38.59 -35.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 111' ' ' LEU . 1.8 m-20 -82.69 -54.17 5.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.434 ' HA ' ' CZ3' ' A' ' 131' ' ' TRP . 12.6 tp -35.56 -62.44 0.4 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 113' ' ' ALA . 26.3 m -53.89 -58.4 7.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -37.13 -57.23 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.151 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.485 ' CE2' HD21 ' A' ' 115' ' ' LEU . 5.7 t80 -36.96 -52.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.485 HD21 ' CE2' ' A' ' 114' ' ' PHE . 4.1 mt -66.05 -51.95 53.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -49.07 -19.94 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -87.42 -65.0 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -86.39 -66.62 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.821 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.45 ' SG ' ' CB ' ' A' ' 124' ' ' CYS . 98.2 m -76.43 90.23 3.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -133.27 105.76 7.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 96.81 -0.42 60.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.535 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -121.38 158.59 27.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 3.5 m -82.22 95.12 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . 0.45 ' CB ' ' SG ' ' A' ' 119' ' ' CYS . 88.2 m -134.33 87.95 2.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 18.6 mm -88.05 -39.92 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.27 -47.48 85.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -39.94 -32.34 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -75.08 -58.86 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 77.6 p -52.27 -21.38 3.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -88.11 -33.27 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.677 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 5.2 t90 -82.88 -18.25 40.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 19.5 t -87.04 -49.85 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.439 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 15.1 ptp180 -45.49 -25.89 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -95.19 -67.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.677 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 6.1 m-70 -44.24 -45.25 8.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.825 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -42.32 -66.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.05 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 19.8 t -53.77 -17.13 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -75.2 -25.09 69.48 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -94.77 -18.51 21.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.949 0.404 . . . . 0.0 110.965 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.47 ' CG1' ' HB ' ' A' ' 67' ' ' VAL . 5.4 t -89.59 0.22 8.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 10.8 m -78.01 -44.68 25.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.55 156.7 8.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -87.37 104.67 16.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 13.9 t -164.02 141.48 7.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.165 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.7 p -99.64 -42.73 6.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 58.7 m -54.49 -49.84 69.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 9.5 m -94.68 158.73 15.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . 0.432 ' N ' ' HD2' ' A' ' 149' ' ' PRO . . . 151.31 -60.98 0.41 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' ' 148' ' ' GLY . 54.1 Cg_endo -69.72 -3.39 11.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 32.2 m 61.43 50.28 4.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 25.4 m -85.84 -48.03 9.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m -40.72 152.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.362 . . . . 0.0 110.851 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 p -108.67 105.54 15.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.88 165.25 15.08 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -57.82 139.7 53.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.344 . . . . 0.0 110.861 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -62.13 -45.49 93.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.32 59.07 11.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -86.77 -35.34 19.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 11' ' ' GLU . 1.1 tp-100 -51.73 -55.64 18.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' GLN . . . -34.95 -33.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 9' ' ' GLN . 41.1 mt-10 -75.91 -50.5 14.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . -35.23 -44.81 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -71.81 -46.61 57.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.468 ' CD1' ' HD2' ' A' ' 42' ' ' LYS . 58.6 tp -59.16 -57.05 14.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.84 -55.32 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -60.42 -60.53 3.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.0 mt -42.33 -51.57 4.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -52.86 -41.89 64.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.4 tp -68.85 -56.96 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.0 mt -41.76 -57.15 2.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.25 -41.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -78.49 -45.89 20.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 73.3 mmm -44.93 -39.1 5.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -107.94 77.67 0.69 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 26' ' ' GLY . 54.1 Cg_endo -69.74 -22.63 31.92 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' PRO . . . -35.99 142.37 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.494 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -57.98 -41.86 83.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -129.32 45.29 2.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.406 ' CG ' ' HA3' ' A' ' 26' ' ' GLY . 14.0 mm-40 -89.67 -57.46 2.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.4 ' C ' HD11 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -116.16 145.63 42.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.95 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.4 HD11 ' C ' ' A' ' 30' ' ' LEU . 5.3 mp -141.38 118.8 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 52.9 t -93.91 96.38 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -55.94 -52.35 64.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -86.32 86.59 7.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -66.81 -48.93 67.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 37' ' ' ALA . 9.8 tp -52.57 -46.72 67.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' LEU . . . -37.29 -43.89 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.054 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.5 t -76.08 -58.05 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.81 -46.37 3.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.6 -37.27 85.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 14' ' ' LEU . 15.0 tp -55.55 -37.25 67.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.468 ' HD2' ' CD1' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -73.52 -54.3 8.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.856 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -46.85 -39.42 11.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.7 m -61.89 -52.99 61.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.0 mt -62.6 -50.23 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -57.76 -47.43 82.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -67.38 -24.12 65.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt 58.39 44.14 18.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.2 t -126.05 -26.72 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 18.1 mmt 54.63 50.42 15.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -47.01 -48.13 22.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.45 99.91 1.53 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.565 ' HG3' ' CD1' ' A' ' 83' ' ' PHE . 1.8 ptp85 -55.71 145.74 23.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.319 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.9 t -109.38 -35.61 6.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.5 m -98.43 103.68 15.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -50.74 154.85 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.8 t -83.18 103.54 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -112.6 113.5 25.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.606 ' CE2' ' SG ' ' A' ' 79' ' ' CYS . 9.9 p90 -133.71 126.45 30.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.6 m -89.28 137.1 32.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.0 mt -117.36 125.13 73.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -97.57 114.29 26.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.6 mtm -118.26 108.63 15.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -80.02 129.53 34.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.64 153.74 40.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -86.28 119.67 26.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 68' ' ' SER . 33.8 m -90.87 -50.49 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.438 ' N ' ' CG2' ' A' ' 67' ' ' VAL . 2.2 m -173.75 175.97 2.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 71' ' ' LYS . 49.7 m-20 47.06 53.34 10.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' ASP . 4.2 mm-40 38.23 27.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -116.76 173.84 6.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.5 ptm -145.45 -177.82 5.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.428 ' CB ' HD13 ' A' ' 98' ' ' LEU . . . -148.96 177.68 9.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.2 ttm -116.26 108.19 15.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -91.91 135.71 33.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 56.2 m -112.5 105.58 13.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.897 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.8 mp -90.37 92.75 9.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.74 100.9 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.606 ' SG ' ' CE2' ' A' ' 59' ' ' PHE . 15.0 p -103.18 149.13 24.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 70.3 mt -140.51 110.89 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 61.4 mt -80.03 112.38 29.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -178.91 2.56 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.761 2.308 . . . . 0.0 112.339 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.565 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 13.4 m-85 -90.27 27.04 1.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.52 ' O ' ' C ' ' A' ' 85' ' ' TYR . 1.1 mtpp -127.54 -42.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.652 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 3.2 t80 -28.27 141.34 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.68 0.752 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.652 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.6 Cg_endo -69.81 -7.94 10.32 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.325 -0.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.516 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -30.32 -72.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 15.6 m -110.45 128.77 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 57.0 mt -48.04 156.06 0.79 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.719 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.591 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.74 -179.85 3.19 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.257 . . . . 0.0 112.363 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -111.31 66.02 0.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.8 mt -70.95 125.79 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 89.4 m -123.18 103.73 8.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 37.5 t -76.82 131.94 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -134.38 143.04 47.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.4 t -164.66 127.31 2.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 33.3 m -52.5 -23.79 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.428 HD13 ' CB ' ' A' ' 73' ' ' ALA . 13.6 mt -73.83 -51.41 16.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 76.8 mt -63.71 135.15 56.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.6 t -82.32 171.98 13.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.9 mtp85 -55.43 -41.36 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.8 m -74.91 -64.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -42.0 -59.29 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -40.39 -52.65 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 90.1 m -47.65 -58.04 4.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -52.38 -45.34 65.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.403 ' C ' HD22 ' A' ' 107' ' ' LEU . 9.9 tt -54.27 -58.57 6.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -55.16 -60.49 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 75.4 m -40.44 -42.38 1.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.82 -55.42 11.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.46 HD21 ' CG2' ' A' ' 132' ' ' VAL . 13.7 tp -42.5 -55.52 3.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 75.7 m -56.27 -44.36 79.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -55.12 -49.4 71.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -38.89 -63.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 116' ' ' GLN . 10.3 mt -58.13 -57.41 12.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 115' ' ' LEU . 33.6 mm-40 -34.79 -36.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.942 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 115' ' ' LEU . 6.7 ttmm -96.19 -65.14 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -51.82 -62.19 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.826 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.8 m -119.23 111.98 18.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -132.16 96.99 4.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 112.13 35.21 1.84 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.535 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -157.89 171.96 19.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.469 ' O ' ' CG2' ' A' ' 123' ' ' VAL . 34.0 m -99.89 94.4 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . 0.415 ' HB3' ' CG ' ' A' ' 127' ' ' ASN . 64.0 m -134.79 56.58 1.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.458 ' CD1' ' HG3' ' A' ' 90' ' ' PRO . 31.3 mm -57.73 -43.34 83.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.6 mt -52.8 -40.02 62.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.415 ' CG ' ' HB3' ' A' ' 124' ' ' CYS . 2.1 m-20 -55.63 -35.19 65.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.64 -52.22 40.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 69.0 p -58.81 -33.61 70.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.156 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -69.48 -17.68 63.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.661 ' CZ2' ' CE1' ' A' ' 135' ' ' HIS . 12.4 t90 -90.66 -26.05 19.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.46 ' CG2' HD21 ' A' ' 111' ' ' LEU . 70.9 t -84.97 -51.91 13.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 134' ' ' GLU . 22.3 ptt180 -38.5 -32.12 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 133' ' ' ARG . 49.5 tp10 -94.37 -67.58 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.661 ' CE1' ' CZ2' ' A' ' 131' ' ' TRP . 18.1 m-70 -43.51 -50.72 7.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -34.13 -69.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.3 m -43.97 -37.1 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -58.07 -54.6 36.23 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -59.25 -48.38 81.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.932 0.396 . . . . 0.0 110.946 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 60.4 t -49.89 103.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 17.6 m -141.44 108.63 5.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . 0.441 ' NH2' ' OD2' ' A' ' 69' ' ' ASP . 52.4 mtm180 -83.34 -46.21 12.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 142' ' ' ARG . 24.3 t70 35.02 40.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 9.2 t -95.99 33.85 1.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 96.9 p -137.97 150.0 46.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.7 t -100.04 41.46 1.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 88.5 p -159.85 163.85 34.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -78.2 -72.9 1.12 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 124.55 11.18 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.68 2.253 . . . . 0.0 112.316 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 98.3 p -141.73 148.27 38.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 62.2 m -143.14 130.91 21.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.556 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -160.04 129.95 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -48.48 -61.77 1.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.43 64.71 0.43 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.1 p -65.91 106.91 1.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.875 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -161.43 113.07 1.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.13 106.45 0.24 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.04 -16.13 32.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.769 0.319 . . . . 0.0 110.853 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -71.95 -41.58 67.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.84 75.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -75.13 -42.72 55.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.49 -44.3 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -71.84 -57.73 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 15' ' ' ALA . 46.8 tp -44.59 -51.19 9.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.26 -58.99 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 19' ' ' LEU . 6.6 tp10 -57.43 -64.71 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' GLU . 83.9 mt -37.56 -40.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -65.25 -48.18 74.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 16' ' ' GLU . 9.9 tp -60.19 -54.78 41.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' MET . 66.5 mt -47.93 -64.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.05 -44.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.11 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.1 m -71.02 -45.72 63.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 20' ' ' LEU . 83.8 mmm -56.68 -37.68 71.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.475 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 1.5 m-85 -107.2 99.73 28.87 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.644 0.735 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -45.54 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.679 2.253 . . . . 0.0 112.323 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 29' ' ' GLU . . . 164.84 -120.52 0.94 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' GLY . 24.7 tt0 35.6 47.8 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 62.38 42.26 9.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 26' ' ' GLY . 45.2 mm-40 -95.48 -59.03 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.455 ' HB3' ' CB ' ' A' ' 24' ' ' PHE . 0.3 OUTLIER -139.62 135.94 33.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.401 HG21 ' N ' ' A' ' 32' ' ' VAL . 5.2 mp -135.09 132.67 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.401 ' N ' HG21 ' A' ' 31' ' ' ILE . 1.4 p -111.45 126.42 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -86.84 -42.15 13.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -96.32 86.82 4.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.22 -40.1 68.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mt -46.1 -52.45 12.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -37.67 -46.24 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 88.0 t -67.22 -56.16 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.65 -58.66 6.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -52.66 -40.73 63.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.4 tp -62.87 -41.92 99.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -64.07 -57.29 10.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -45.12 -42.31 8.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.4 t -55.32 -44.18 75.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.7 mt -76.64 -51.14 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -52.82 -41.67 64.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.401 ' CB ' HG22 ' A' ' 49' ' ' THR . 21.3 mtpp -88.93 14.65 10.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 47' ' ' LYS . 14.6 mttm 38.45 36.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.401 HG22 ' CB ' ' A' ' 47' ' ' LYS . 1.3 t -129.24 119.07 23.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.163 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.52 100.97 12.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -98.44 -42.18 7.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 125.08 130.37 3.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.516 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.424 ' HD3' ' N ' ' A' ' 53' ' ' ARG . 2.2 mpp_? -85.45 139.53 31.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.3 t -105.19 -42.47 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.6 m -88.45 113.35 23.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -63.0 139.93 58.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 67.5 t -65.39 95.64 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -100.55 114.58 28.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -147.16 126.66 13.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 83.9 m -96.69 148.18 23.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 97.5 mt -121.85 126.2 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 67.0 m-80 -96.43 133.7 40.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 16.4 mtm -144.52 110.81 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 34.7 p30 -82.74 130.25 35.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' A' ' 133' ' ' ARG . 0.5 OUTLIER -142.54 149.77 39.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.85 121.83 24.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.438 HG22 ' N ' ' A' ' 68' ' ' SER . 27.5 m -100.51 -48.85 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.438 ' N ' HG22 ' A' ' 67' ' ' VAL . 1.2 t -170.59 175.57 4.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.7 m-20 45.08 53.28 7.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' ASP . 3.7 pt-20 36.95 29.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -118.85 171.39 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.2 ptm -145.31 165.08 29.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -138.83 161.95 36.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.7 ttm -94.75 123.74 38.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -104.46 111.77 24.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.5 m -85.04 116.31 23.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 mp -102.88 94.11 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.34 98.13 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 41.9 t -98.47 139.32 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 89.9 mt -134.79 111.08 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.14 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.6 mt -91.3 113.0 56.96 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.545 0.688 . . . . 0.0 110.957 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -173.32 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.649 2.233 . . . . 0.0 112.387 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -87.24 -10.47 52.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.535 ' O ' ' C ' ' A' ' 85' ' ' TYR . 1.2 mmpt? -80.42 -50.24 10.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.625 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.0 t80 -26.41 141.23 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.638 0.732 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.625 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.5 Cg_endo -69.75 -13.01 12.34 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.315 -0.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 86' ' ' PRO . . . -32.38 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.482 HG13 ' CB ' ' A' ' 84' ' ' LYS . 2.9 m -101.39 126.77 55.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.4 mt -51.68 157.26 1.96 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.597 0.713 . . . . 0.0 110.923 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.594 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.73 -167.67 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.745 2.297 . . . . 0.0 112.32 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -129.48 70.85 1.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 29.0 mt -77.97 126.67 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 25.8 m -122.34 105.41 10.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.412 ' O ' ' CD ' ' A' ' 104' ' ' GLN . 33.2 t -73.83 127.29 35.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.01 149.61 43.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.5 t -167.53 133.43 2.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 34.8 m -64.56 -22.8 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 14.0 mt -77.2 -43.99 31.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 42.3 mt -64.53 144.08 57.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.4 p -91.93 168.9 11.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -56.61 -23.65 42.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.7 t -88.91 -63.67 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 104' ' ' GLN . 0.6 OUTLIER -45.4 -61.56 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.459 ' HA ' ' NE2' ' A' ' 104' ' ' GLN . 4.7 tp60 -35.83 -53.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 37.3 m -48.67 -66.31 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 17.0 tp60 -47.55 -47.5 28.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.463 ' HA ' ' CZ ' ' A' ' 139' ' ' TYR . 10.5 tt -48.54 -57.25 6.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -61.9 -43.3 99.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 57.8 m -42.98 -42.32 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -79.03 -44.75 21.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 13.5 tp -41.61 -38.58 1.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 98.2 m -74.69 -39.99 61.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -55.07 -60.79 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.428 ' CE2' ' ND2' ' A' ' 127' ' ' ASN . 25.6 t80 -37.28 -62.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 21.5 mt -53.92 -56.46 17.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -41.81 -27.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -95.79 -65.05 1.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -64.99 -64.29 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.844 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 6.3 t -88.48 99.31 12.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -138.74 108.98 6.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 97.32 -19.97 52.63 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.04 170.99 7.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 0.0 110.839 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.568 HG13 ' CE2' ' A' ' 85' ' ' TYR . 35.1 m -99.9 99.78 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 23.7 m -135.02 96.94 3.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 39.8 mm -94.48 -31.56 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.184 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.36 -30.29 71.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.428 ' ND2' ' CE2' ' A' ' 114' ' ' PHE . 7.6 t30 -62.34 -21.14 65.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.78 -50.96 8.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 63.8 p -59.26 -35.91 74.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -72.5 -17.84 61.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.742 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 14.3 t90 -92.78 -30.93 15.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 134' ' ' GLU . 40.8 t -80.62 -52.46 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.444 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 1.9 ptm85 -36.61 -29.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 132' ' ' VAL . 34.3 tt0 -95.02 -53.62 3.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.742 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 19.1 m-70 -58.89 -54.68 44.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.446 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.35 -68.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.1 t -51.79 -41.71 61.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -51.64 -41.32 49.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.463 ' CZ ' ' HA ' ' A' ' 107' ' ' LEU . 71.3 m-85 -69.16 -45.73 69.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.947 0.403 . . . . 0.0 110.915 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 52.6 t -62.14 121.21 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 46.3 p -115.54 -51.14 2.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -154.86 107.04 2.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -49.18 108.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 4.8 t -169.81 136.26 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 93.2 p -110.51 140.19 45.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 84.7 p -93.0 40.68 1.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 54.8 m -102.57 150.78 23.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 128.32 -158.04 21.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 149.95 68.02 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.721 2.281 . . . . 0.0 112.36 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 23.2 t -162.06 131.0 4.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 34.9 t -115.5 126.42 54.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.892 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.437 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 m -88.2 -62.8 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 0.0 110.852 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 p -57.17 131.53 50.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.94 154.3 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.515 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 m -158.47 139.39 12.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.4 p -97.11 165.45 12.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.832 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.06 93.31 0.46 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -40.85 -38.16 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.775 0.321 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -41.77 -52.18 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.7 -51.59 66.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.78 -31.7 68.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.36 -48.65 62.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.448 ' NE2' ' NH2' ' A' ' 53' ' ' ARG . 17.9 mt-30 -64.45 -62.32 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 25.6 tp -46.13 -40.25 10.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.71 -65.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -54.64 -39.2 67.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 26.3 mt -55.71 -40.55 72.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -70.36 -41.77 72.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.479 ' CD2' ' CG ' ' A' ' 23' ' ' MET . 2.5 tt -62.84 -57.93 9.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mt -44.28 -57.17 3.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.04 -42.66 2.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 m -77.16 -42.65 36.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.479 ' CG ' ' CD2' ' A' ' 19' ' ' LEU . 89.9 mmm -53.77 -31.5 48.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -115.57 76.81 5.69 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.624 0.726 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -21.29 33.89 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.319 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -50.48 150.67 5.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.73 -31.96 61.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -122.6 45.02 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -104.86 -46.29 4.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.01 129.96 32.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 32' ' ' VAL . 4.3 mp -127.55 135.17 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.449 ' N ' HG22 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -111.47 114.39 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -75.26 -48.39 23.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -93.23 97.38 10.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -87.37 -45.78 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tp -44.92 -53.23 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -37.44 -52.44 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.5 t -63.25 -52.06 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -42.35 -46.12 4.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -61.5 -38.79 88.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.11 -47.31 85.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.61 -55.97 27.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -51.51 -41.01 60.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 97.7 m -56.63 -54.64 43.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.0 mt -60.42 -51.82 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -55.38 -33.35 63.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -96.55 11.64 34.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.4 mttt 43.11 29.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.3 t -120.2 127.57 52.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.14 93.62 4.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -90.14 30.51 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' ARG . . . 48.59 94.06 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.509 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.448 ' NH2' ' NE2' ' A' ' 13' ' ' GLN . 23.7 mtm180 -36.07 148.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 t -117.86 -35.63 3.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.0 t -102.63 119.85 39.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.447 ' HG3' ' CE1' ' A' ' 83' ' ' PHE . 19.0 mtmt -70.27 138.41 51.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.9 t -68.66 95.47 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -94.8 110.98 22.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -140.96 129.29 22.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 42.8 m -93.95 146.29 24.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.158 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.4 mt -120.54 116.58 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -89.09 124.14 34.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 10.3 mtm -134.45 118.57 17.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.449 ' ND2' ' HB2' ' A' ' 72' ' ' MET . 0.1 OUTLIER -93.97 127.82 39.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.442 ' N ' HD21 ' A' ' 64' ' ' ASN . 0.6 OUTLIER -137.0 157.21 47.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.84 136.77 32.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.402 HG23 ' CD2' ' A' ' 98' ' ' LEU . 1.3 m -114.17 -47.11 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.1 p -174.94 -177.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' LYS . 7.2 m-20 47.06 47.52 15.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 38.85 27.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 69' ' ' ASP . 7.4 mtmt -116.85 179.8 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.449 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 8.1 ptm -151.34 156.84 41.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.12 167.34 14.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.401 ' SD ' ' N ' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -107.69 121.92 45.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.401 ' N ' ' SD ' ' A' ' 74' ' ' MET . 4.2 m-85 -102.38 145.95 28.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 75.1 m -113.14 122.14 46.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 mp -109.62 94.51 5.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.98 103.28 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 46.4 t -103.87 142.64 34.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.2 mt -138.99 113.11 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.154 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.3 mt -85.54 115.74 62.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.597 0.713 . . . . 0.0 110.922 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -173.81 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.359 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.447 ' CE1' ' HG3' ' A' ' 56' ' ' LYS . 1.3 m-85 -86.31 -7.87 58.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.499 ' O ' ' C ' ' A' ' 85' ' ' TYR . 6.9 mttp -88.61 -46.01 9.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.684 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -29.96 141.06 0.11 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.679 0.752 . . . . 0.0 110.925 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.684 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.6 Cg_endo -69.77 -6.05 9.22 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.335 -0.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.483 ' HB2' ' CB ' ' A' ' 84' ' ' LYS . . . -35.81 -76.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.464 HG12 ' CD ' ' A' ' 84' ' ' LYS . 3.2 m -99.99 128.3 52.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.191 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.8 mt -43.55 159.1 0.23 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.56 0.695 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.623 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.72 -169.07 0.3 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.669 2.246 . . . . 0.0 112.355 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -128.16 66.6 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.452 HG23 ' N ' ' A' ' 93' ' ' THR . 16.2 mt -72.1 146.59 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.467 HG23 ' CZ ' ' A' ' 95' ' ' ARG . 11.1 m -142.93 104.97 4.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.1 t -77.6 127.87 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.467 ' CZ ' HG23 ' A' ' 93' ' ' THR . 0.2 OUTLIER -123.47 145.45 48.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 t -175.07 137.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.824 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.468 HG11 ' N ' ' A' ' 98' ' ' LEU . 7.9 p -74.43 -22.93 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.089 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.468 ' N ' HG11 ' A' ' 97' ' ' VAL . 5.9 mp -65.07 -44.06 90.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.7 mt -70.58 140.19 51.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.3 t -72.02 176.04 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.4 mtm-85 -58.51 -37.43 75.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.8 t -92.98 -50.64 5.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -49.95 -25.29 3.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -72.18 -72.11 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.8 t -44.78 -29.51 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -64.03 -41.21 97.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.3 tt -69.25 -34.42 74.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -73.85 -56.56 4.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.0 m -44.99 -34.05 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 111' ' ' LEU . 4.3 t70 -80.86 -52.79 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 110' ' ' ASP . 4.7 tp -35.12 -57.47 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 84.2 m -59.87 -49.91 75.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.176 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -45.2 -57.52 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.587 ' O ' ' CD2' ' A' ' 118' ' ' HIS . 31.8 t80 -34.34 -51.33 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.6 mt -67.28 -54.62 19.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -48.45 -21.39 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.72 -65.6 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 114' ' ' PHE . 4.3 p80 -103.89 -63.69 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.445 ' H ' ' CG ' ' A' ' 118' ' ' HIS . 87.0 m -70.72 96.34 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -155.9 105.94 2.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 138.71 -30.93 2.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.17 168.8 11.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.358 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 85' ' ' TYR . 27.1 m -64.45 102.67 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 25.8 p -126.22 80.69 1.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.9 mm -90.97 -57.14 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 129' ' ' THR . 12.4 mt -50.49 -53.52 29.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -38.32 -31.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.406 ' N ' ' O ' ' A' ' 126' ' ' LEU . . . -78.03 -42.68 31.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 126' ' ' LEU . 23.1 p -65.54 -44.96 85.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -63.5 -15.49 58.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.73 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 14.7 t90 -94.48 -26.44 16.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.48 ' O ' ' CB ' ' A' ' 136' ' ' ALA . 18.2 t -80.05 -46.18 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.427 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 8.4 ptm180 -55.38 -28.91 57.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -87.65 -64.62 1.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.73 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 15.6 m-70 -53.37 -46.65 69.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 132' ' ' VAL . . . -33.8 -71.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 10.1 p -42.44 -39.89 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -57.29 -49.07 75.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.494 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -63.81 -48.51 76.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 21.9 t -65.21 115.92 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 50.7 p -155.33 154.79 32.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 35.1 ttt85 44.81 36.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -55.3 -51.9 65.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 12.0 t 39.51 41.2 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.2 t -50.93 154.1 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.824 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 59.7 p -113.38 -42.84 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 50.6 p -97.26 156.07 16.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -146.87 101.55 0.24 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.437 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -37.7 8.82 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.682 2.255 . . . . 0.0 112.314 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 17.9 m -106.51 161.95 14.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 13.4 t -109.02 127.31 53.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.839 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.448 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -86.14 -61.68 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 t -117.95 80.87 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.96 81.68 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.5 t 47.8 46.87 18.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.862 0.363 . . . . 0.0 110.823 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -75.65 146.09 40.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.2 -106.19 0.6 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.4 pm0 -49.97 -19.78 0.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.773 0.32 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -66.92 -42.19 85.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.16 -33.2 73.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' ALA . 33.8 mt-10 -78.22 -48.09 16.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . -36.62 -47.64 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 82' ' ' PRO . 51.6 mt-30 -67.06 -62.33 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 15' ' ' ALA . 38.4 tp -46.99 -59.4 3.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -36.24 -56.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -59.34 -50.89 72.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 30.7 mt -44.89 -56.69 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -49.88 -47.93 51.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.51 -56.3 18.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 23' ' ' MET . 22.9 mt -47.43 -61.6 1.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.989 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.97 -40.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -74.33 -42.66 59.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' LEU . 92.0 mmm -60.03 -46.96 87.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -108.12 76.83 0.64 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.636 0.731 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -45.66 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.715 2.277 . . . . 0.0 112.342 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -43.6 120.76 3.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -47.73 -32.28 5.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.826 0.346 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -85.98 -38.44 17.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.54 -43.15 35.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tt -143.43 137.57 28.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.61 116.94 25.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 76.6 t -96.54 93.88 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -65.51 -53.52 41.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.61 80.92 3.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -76.74 -46.53 24.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.7 tt -44.44 -52.16 8.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -38.28 -52.88 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.079 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.6 t -58.79 -54.6 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -45.89 -46.94 16.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -65.87 -51.25 60.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.4 tp -43.5 -58.71 2.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -43.38 -39.46 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.952 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -69.66 -38.81 77.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 21.9 m -54.98 -43.06 73.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.404 ' CD1' HD23 ' A' ' 14' ' ' LEU . 40.3 mt -73.98 -52.43 20.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.421 ' C ' ' HE3' ' A' ' 47' ' ' LYS . 5.2 mm-40 -51.9 -50.47 61.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 49' ' ' THR . 0.2 OUTLIER -75.27 4.94 6.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 47' ' ' LYS . 2.4 mmmp? 34.08 33.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 47' ' ' LYS . 5.1 t -121.53 -34.11 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.148 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.453 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 33.4 53.63 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -47.58 -54.18 12.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -173.06 100.4 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 45.5 mtt85 -51.66 -37.42 50.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.924 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.7 m 38.08 32.66 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.4 p -147.36 106.34 3.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -78.06 110.97 13.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.5 t -55.95 97.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -100.16 120.49 39.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -150.71 120.02 6.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.3 m -89.98 145.66 24.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.5 mt -119.99 127.33 75.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.43 ' HB3' ' CE ' ' A' ' 74' ' ' MET . 83.3 m-20 -104.22 120.45 41.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.0 mtm -123.42 113.0 18.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -84.83 127.8 34.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -144.77 147.29 32.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -75.68 137.92 40.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.4 m -116.36 -47.48 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 78.6 p -174.2 -178.99 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 71' ' ' LYS . 3.4 t0 43.67 53.07 6.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' ASP . 8.0 tt0 35.44 32.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 69' ' ' ASP . 19.6 mtpp -122.92 177.67 5.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.4 ptm -147.2 156.35 42.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -127.06 161.58 28.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.43 ' CE ' ' HB3' ' A' ' 62' ' ' ASN . 2.2 tpt -101.74 131.19 48.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.428 ' CE2' ' HB2' ' A' ' 136' ' ' ALA . 7.2 m-85 -111.93 109.09 18.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 91.1 p -84.55 119.44 25.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.7 mp -107.81 93.01 4.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.97 97.08 1.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.0 m -96.43 141.94 29.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 81.2 mt -138.42 115.81 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.1 mt -88.33 110.01 33.05 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.577 0.703 . . . . 0.0 110.943 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.414 ' O ' ' NE2' ' A' ' 13' ' ' GLN . 53.4 Cg_endo -69.71 -174.83 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.242 . . . . 0.0 112.345 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -95.68 26.01 4.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.49 ' O ' ' C ' ' A' ' 85' ' ' TYR . 0.6 OUTLIER -121.48 -42.74 2.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.616 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.4 t80 -31.14 140.53 0.15 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.655 0.74 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.616 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.7 Cg_endo -69.71 -9.51 10.95 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.379 -0.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.481 ' HB1' ' CB ' ' A' ' 84' ' ' LYS . . . -31.71 -74.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.448 ' CG1' ' HD3' ' A' ' 84' ' ' LYS . 3.1 m -106.29 127.45 61.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 mp -50.5 157.08 1.33 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.578 0.704 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.587 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.7 Cg_endo -69.82 172.9 11.85 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.251 . . . . 0.0 112.357 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -111.77 77.85 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 39.9 mt -83.5 138.01 19.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.1 m -132.75 114.34 14.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.3 t -89.13 135.18 26.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -134.34 143.17 47.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.6 t -158.67 126.17 5.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.472 ' CG2' HD22 ' A' ' 98' ' ' LEU . 5.6 m -67.15 -14.91 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.146 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.472 HD22 ' CG2' ' A' ' 97' ' ' VAL . 2.0 mm? -84.39 -27.84 27.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.9 mt -76.44 -178.59 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 101' ' ' ARG . 17.1 t -123.76 143.75 50.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -35.9 -39.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.89 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -73.51 -61.14 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 139' ' ' TYR . 37.0 mt-30 -51.23 -59.39 4.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -40.52 -61.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 85.1 m -45.31 -60.98 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -45.49 -50.09 13.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.404 HD22 ' C ' ' A' ' 107' ' ' LEU . 10.1 tt -52.36 -51.93 56.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -55.71 -64.0 0.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 78.2 m -39.67 -48.16 2.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 111' ' ' LEU . 15.0 m-20 -65.88 -55.88 14.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 110' ' ' ASP . 29.5 tp -34.5 -56.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 93.9 m -55.92 -50.91 69.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -50.33 -57.07 8.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 113' ' ' ALA . 2.8 t80 -34.39 -47.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 15.3 mt -70.42 -54.8 10.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -46.78 -22.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.547 ' HG3' ' CD2' ' A' ' 118' ' ' HIS . 0.2 OUTLIER -81.69 -65.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.547 ' CD2' ' HG3' ' A' ' 117' ' ' LYS . 68.7 m-70 -87.26 -60.74 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.2 t -77.51 98.72 5.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -141.16 122.75 15.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 74.37 28.66 63.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -143.25 -176.25 4.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.414 ' O ' ' CG2' ' A' ' 123' ' ' VAL . 27.7 m -116.72 94.38 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 3.9 m -142.5 105.11 4.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 34.0 mm -95.82 -51.97 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 127' ' ' ASN . 54.9 mt -41.8 -55.74 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 126' ' ' LEU . 5.5 m120 -37.53 -45.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -61.48 -60.92 2.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 69.4 p -45.42 -41.8 9.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -62.98 -57.52 10.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.517 ' CE3' ' O ' ' A' ' 131' ' ' TRP . 16.5 t90 -52.35 -16.63 0.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.401 HG21 ' CD1' ' A' ' 111' ' ' LEU . 20.0 t -90.78 -46.17 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.505 ' O ' ' NE ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -59.22 -17.76 30.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -94.4 -47.22 6.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.443 ' O ' ' C ' ' A' ' 136' ' ' ALA . 3.7 m-70 -72.66 -53.05 12.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -34.06 -65.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.4 p -38.96 -45.68 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.806 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -62.8 -41.91 99.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.476 ' O ' ' NE2' ' A' ' 103' ' ' GLN . 40.9 m-85 -60.95 -48.05 83.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.963 0.411 . . . . 0.0 110.892 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 46.7 t -57.58 119.99 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.177 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 5.8 t -156.27 139.19 15.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.802 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 21.1 ttt85 -109.05 150.02 28.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -101.58 -56.58 2.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 12.6 t -72.61 160.04 32.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.5 t -124.71 -49.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.7 t -126.56 140.52 52.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 19.1 m -102.72 -48.7 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 68.48 146.19 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.463 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 164.37 34.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.2 t -119.78 91.98 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 32.7 t -70.99 -47.56 58.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p -82.37 176.65 9.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.371 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -110.57 169.45 8.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.01 -73.35 0.87 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -160.49 143.14 13.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.838 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -100.97 -46.97 4.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.04 64.69 1.35 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.532 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.64 -44.66 66.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -42.32 -42.23 3.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.27 -48.13 79.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -66.01 -39.61 90.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.02 -50.89 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -74.01 -46.71 41.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.471 HD23 ' CD1' ' A' ' 45' ' ' ILE . 44.5 tp -53.11 -64.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.96 -52.85 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -54.14 -53.03 58.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.413 ' CD2' HG13 ' A' ' 57' ' ' VAL . 86.2 mt -55.0 -51.84 65.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' A' ' 18' ' ' ASP . 7.2 t0 -55.55 -48.33 74.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' LEU . 4.4 tt -56.41 -64.14 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 19' ' ' LEU . 29.0 mt -35.41 -52.58 0.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.94 -46.96 5.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.091 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 93.4 p -67.57 -44.33 78.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.451 ' HE3' ' CD2' ' A' ' 126' ' ' LEU . 41.4 mmm -57.16 -37.67 72.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -107.86 73.24 0.41 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.571 0.7 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 26' ' ' GLY . 53.8 Cg_endo -69.75 -30.79 21.77 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.697 2.265 . . . . 0.0 112.367 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' PRO . . . -36.8 147.72 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -69.1 -32.55 72.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -126.84 46.71 2.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -104.8 -39.31 6.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.405 ' C ' HD12 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -141.01 144.81 35.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.415 HD13 ' ND2' ' A' ' 62' ' ' ASN . 5.3 mp -142.61 119.99 6.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.3 t -96.49 95.51 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -63.35 -51.2 66.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.93 117.24 13.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -110.22 -35.71 6.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.4 tp -54.59 -66.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -38.88 -46.36 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.6 t -67.21 -47.67 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.34 -51.3 62.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -64.53 -51.1 64.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.417 HD11 ' CZ ' ' A' ' 53' ' ' ARG . 29.2 tp -46.6 -55.6 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.4 mtpp -60.88 -49.0 79.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -52.89 -38.35 61.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.0 m -59.16 -57.85 11.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.471 ' CD1' HD23 ' A' ' 14' ' ' LEU . 20.7 mt -47.26 -54.81 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.73 -46.83 86.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -66.06 -21.4 66.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.8 mttt 55.78 39.11 30.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.3 t -121.3 -21.36 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 50' ' ' MET . 0.0 OUTLIER 47.7 46.54 18.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -43.34 -49.2 6.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 139.69 133.34 3.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.567 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 12.6 mmt-85 -51.85 156.53 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.818 0.342 . . . . 0.0 110.828 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -111.09 -38.97 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 t -147.61 168.6 21.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.3 mttm -81.84 133.06 35.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.413 HG13 ' CD2' ' A' ' 17' ' ' LEU . 98.9 t -61.5 108.76 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -109.32 125.08 51.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 79' ' ' CYS . 7.1 p90 -153.36 118.61 5.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.4 m -90.28 141.35 28.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.4 mt -117.28 125.06 73.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.415 ' ND2' HD13 ' A' ' 31' ' ' ILE . 83.2 m-20 -98.84 114.36 26.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 51.1 mtp -115.74 129.39 56.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -97.09 122.6 40.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 mt -145.46 159.3 43.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.32 128.59 35.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.456 HG22 ' N ' ' A' ' 68' ' ' SER . 30.6 m -103.74 -48.59 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.456 ' N ' HG22 ' A' ' 67' ' ' VAL . 1.3 t -174.67 175.98 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' LYS . 3.7 m-20 47.4 48.28 16.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 40.27 26.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' ASP . 19.6 mtmm -112.47 165.52 12.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.7 mtp -124.3 -174.29 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.403 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -165.83 170.22 14.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 54.5 mtp -106.27 123.77 48.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -101.07 105.07 16.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.808 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.6 m -82.23 120.09 24.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.4 mp -113.79 93.32 4.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.34 95.39 2.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.433 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 36.5 t -93.93 128.41 40.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 75.0 mt -128.43 109.15 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.1 mt -82.55 119.77 75.33 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.622 0.725 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -173.36 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.739 2.292 . . . . 0.0 112.328 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 53' ' ' ARG . 3.8 m-30 -89.74 3.9 51.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.53 ' O ' ' C ' ' A' ' 85' ' ' TYR . 13.7 mmtp -100.4 -47.24 4.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.671 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.2 t80 -27.46 141.26 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.655 0.741 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.671 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.6 Cg_endo -69.74 -7.12 9.76 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.362 -0.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.48 ' HB3' ' C ' ' A' ' 84' ' ' LYS . . . -35.42 -76.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.8 m -101.99 130.6 51.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.43 ' CD1' ' HB3' ' A' ' 115' ' ' LEU . 0.9 OUTLIER -45.12 158.07 0.31 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.727 . . . . 0.0 110.881 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.595 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.6 Cg_endo -69.82 -165.06 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.667 2.244 . . . . 0.0 112.296 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -133.12 67.91 1.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.2 mt -75.75 122.17 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.5 m -112.3 100.07 8.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.0 t -73.38 130.02 35.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 78.2 mtt-85 -138.12 141.45 40.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.1 t -152.65 139.0 18.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.4 t -61.99 -37.91 79.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.403 HD11 ' CB ' ' A' ' 73' ' ' ALA . 15.2 mt -67.34 -52.61 38.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 41.8 mt -53.85 169.2 0.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.2 t -111.92 138.76 48.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.1 ttt-85 -38.12 -40.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.6 m -73.89 -54.93 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 104' ' ' GLN . 14.9 mm100 -54.74 -64.76 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 103' ' ' GLN . 4.5 tp60 -34.92 -49.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 49.2 m -45.5 -63.37 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.15 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -42.93 -47.33 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.477 HD13 ' CD2' ' A' ' 139' ' ' TYR . 9.1 tt -57.11 -39.6 75.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -64.27 -65.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 91.6 m -41.86 -38.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -76.7 -47.38 22.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.494 HD13 ' CE3' ' A' ' 131' ' ' TRP . 8.7 tp -48.36 -59.62 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.453 HG21 ' NE2' ' A' ' 116' ' ' GLN . 12.0 m -54.5 -61.28 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 112' ' ' THR . . . -35.19 -57.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.061 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.432 ' CE2' ' CE1' ' A' ' 118' ' ' HIS . 12.6 t80 -38.2 -49.49 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.43 ' HB3' ' CD1' ' A' ' 89' ' ' LEU . 17.3 mt -66.91 -54.67 19.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.453 ' NE2' HG21 ' A' ' 112' ' ' THR . 9.1 mt-30 -45.88 -33.26 3.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.467 ' N ' ' HE2' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -87.9 -64.08 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.432 ' CE1' ' CE2' ' A' ' 114' ' ' PHE . 11.3 m-70 -52.45 -66.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 3.6 t -106.69 111.82 24.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -133.75 85.28 2.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 144.6 -26.31 1.96 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.5 -176.65 2.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.825 0.345 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 2.8 m -102.21 111.12 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . 0.497 ' SG ' ' ND2' ' A' ' 127' ' ' ASN . 1.8 t -134.86 88.52 2.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 40.7 mm -89.4 -45.02 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.451 ' CD2' ' HE3' ' A' ' 23' ' ' MET . 11.9 mt -51.65 -59.71 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.497 ' ND2' ' SG ' ' A' ' 124' ' ' CYS . 2.1 m-80 -35.9 -37.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.58 -50.39 58.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 126' ' ' LEU . 74.7 p -60.87 -33.08 72.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -78.66 -17.23 56.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.688 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 11.2 t90 -89.64 -18.07 27.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 134' ' ' GLU . 17.8 t -89.68 -56.64 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.146 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -40.7 -24.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 132' ' ' VAL . 5.3 tm-20 -94.57 -58.07 2.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.688 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 18.9 m-70 -56.99 -52.73 64.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.456 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.89 -66.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 136' ' ' ALA . 84.3 p -36.02 -45.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -59.3 -57.46 19.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.477 ' CD2' HD13 ' A' ' 107' ' ' LEU . 81.1 m-85 -55.72 -52.16 64.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.945 0.403 . . . . 0.0 110.885 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 58.7 t -48.49 109.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 6.5 m -112.39 157.24 21.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -101.27 -44.15 5.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 38.8 t70 39.91 44.83 1.46 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 75.5 p -99.98 95.81 7.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 93.7 p -112.62 138.76 48.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 60.0 p -59.91 147.9 36.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 29.2 t -68.04 -42.95 79.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 91.3 83.59 1.44 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.484 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 95.4 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 52.0 m -146.93 151.18 36.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.9 m -86.81 -45.78 10.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t -58.89 148.66 29.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.39 . . . . 0.0 110.799 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -54.6 170.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.49 81.06 0.27 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 t -59.25 97.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 110.869 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 p -91.42 81.64 5.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.76 43.03 1.73 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.531 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -70.61 -63.4 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -40.34 -46.33 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.66 -42.7 62.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -64.01 -50.04 70.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -39.88 -62.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.067 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -51.01 -54.6 23.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 15' ' ' ALA . 26.9 tp -52.12 -66.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.71 -46.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.483 ' OE1' ' CD1' ' A' ' 20' ' ' LEU . 0.0 OUTLIER -58.34 -52.27 66.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.5 mt -47.77 -53.66 14.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -49.95 -48.46 51.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 tt -51.49 -55.02 21.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 23' ' ' MET . 70.2 mt -53.51 -65.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -35.34 -36.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.2 m -78.58 -42.36 29.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 20' ' ' LEU . 60.6 mmm -63.23 -42.2 99.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.427 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 4.9 m-85 -110.09 82.2 2.45 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.684 0.754 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -45.8 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.313 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -46.07 109.07 0.3 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.473 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -41.41 -27.98 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.885 0.374 . . . . 0.0 110.846 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -84.57 -42.4 15.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -44.85 -40.11 5.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tt -144.6 145.14 31.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.7 mp -142.38 118.25 5.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.2 t -98.9 96.42 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -66.14 -54.67 22.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -73.4 91.24 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -83.28 -45.62 13.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.4 ' C ' HD11 ' A' ' 36' ' ' LEU . 0.3 OUTLIER -49.09 -50.91 34.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.16 -42.86 3.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 81.3 t -70.67 -57.68 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -43.26 -48.03 6.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.28 -43.58 92.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.8 tp -58.68 -40.94 84.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -66.67 -62.07 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -43.14 -40.89 3.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.8 m -57.17 -54.91 41.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.2 mt -64.76 -50.02 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -51.87 -48.16 64.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -80.22 12.85 2.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.9 mttt 43.39 43.49 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.4 t -140.81 145.01 35.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.1 mmt -129.55 88.63 2.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -78.45 -46.15 20.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 131.31 94.73 0.65 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.5 ' HG2' ' CD1' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -66.12 148.46 51.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 0.0 110.852 -179.844 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 t -121.12 21.16 11.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.1 t -122.69 125.05 44.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.434 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 20.8 mttp -84.81 127.78 34.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.937 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.3 t -65.98 112.12 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -115.57 127.88 55.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -155.75 118.6 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.3 m -89.8 143.96 26.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 75.3 mt -117.05 128.84 74.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.434 ' HB3' ' CE ' ' A' ' 74' ' ' MET . 82.6 m-20 -100.46 113.71 26.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.3 mtp -117.33 111.51 19.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -84.35 107.62 16.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.429 HD11 ' CB ' ' A' ' 133' ' ' ARG . 1.7 mt -134.47 162.44 32.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -73.76 141.38 46.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.421 ' CG2' ' N ' ' A' ' 68' ' ' SER . 29.9 m -116.07 -53.07 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.421 ' N ' ' CG2' ' A' ' 67' ' ' VAL . 1.8 m -175.34 175.7 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.508 ' OD1' ' CG ' ' A' ' 71' ' ' LYS . 1.1 p30 52.08 25.03 2.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 62.01 28.17 17.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.508 ' CG ' ' OD1' ' A' ' 69' ' ' ASP . 0.7 OUTLIER -116.27 156.52 26.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.9 mtp -112.11 164.96 12.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.406 ' CB ' HD13 ' A' ' 98' ' ' LEU . . . -158.03 155.92 30.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.434 ' CE ' ' HB3' ' A' ' 62' ' ' ASN . 51.5 ttm -84.76 144.45 28.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -119.25 114.18 22.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.5 m -85.03 118.78 24.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.2 mp -114.27 92.9 4.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.33 95.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 16.2 m -96.85 113.34 24.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 65.6 mt -115.4 110.47 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 34.2 mt -82.84 118.34 71.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.606 0.717 . . . . 0.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -175.38 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.629 2.219 . . . . 0.0 112.314 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.5 ' CD1' ' HG2' ' A' ' 53' ' ' ARG . 72.8 m-85 -95.56 26.42 3.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.496 ' O ' ' C ' ' A' ' 85' ' ' TYR . 8.1 mttt -125.21 -41.51 2.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.636 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 3.0 t80 -30.76 141.35 0.13 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.696 0.76 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.636 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.5 Cg_endo -69.77 -8.75 10.7 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.353 -0.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.481 ' C ' ' O ' ' A' ' 86' ' ' PRO . . . -30.79 -73.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 10.0 m -109.58 129.0 65.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' A' ' 115' ' ' LEU . 7.4 mp -46.8 156.58 0.52 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.59 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.2 Cg_endo -69.71 -176.75 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.364 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -116.88 58.56 0.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.7 mt -66.24 124.64 21.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.3 m -121.5 101.95 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 50.4 t -75.42 115.07 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.164 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -124.47 132.57 53.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 97' ' ' VAL . 33.0 t -144.67 112.08 6.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' SER . 27.1 m -35.06 -35.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.072 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 96' ' ' SER . 27.7 mt -62.04 -56.43 19.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.415 HD13 ' NE2' ' A' ' 104' ' ' GLN . 5.8 mt -70.96 144.71 50.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.425 ' O ' ' N ' ' A' ' 102' ' ' SER . 11.4 t -97.1 150.53 20.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.458 ' CZ ' ' HB2' ' A' ' 101' ' ' ARG . 20.9 mtm105 -42.76 -23.75 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 100' ' ' SER . 1.9 t -71.92 -54.8 8.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.419 ' CG ' ' H ' ' A' ' 100' ' ' SER . 0.7 OUTLIER -77.98 -47.2 19.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.43 ' HA ' ' NE2' ' A' ' 104' ' ' GLN . 6.3 tp60 -43.15 -62.57 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.4 t -43.55 -36.6 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -61.89 -49.91 74.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 5.5 tt -61.04 -34.5 74.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -69.72 -58.09 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.4 m -43.43 -25.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 111' ' ' LEU . 47.3 t0 -93.69 -54.95 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 110' ' ' ASP . 12.8 tp -36.12 -44.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.7 m -69.44 -48.55 60.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.01 -41.23 59.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.401 ' CE1' ' CG ' ' A' ' 118' ' ' HIS . 4.1 t80 -47.4 -57.37 5.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.464 ' HB2' ' CD2' ' A' ' 89' ' ' LEU . 18.3 mt -63.23 -48.84 76.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -39.13 -38.15 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -93.92 -62.5 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.401 ' CG ' ' CE1' ' A' ' 114' ' ' PHE . 27.3 m-70 -52.14 -60.0 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.793 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 37.1 t -117.5 106.14 12.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -130.19 84.5 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 124.9 30.93 0.91 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.451 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -156.54 178.55 10.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.474 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 35.0 m -100.6 98.4 6.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.63 95.84 3.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.836 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 49.6 mm -96.06 -38.86 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 128' ' ' ALA . 9.1 mt -58.6 -57.71 11.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 126' ' ' LEU . 3.8 m-20 -35.15 -32.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 126' ' ' LEU . . . -69.45 -58.86 3.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 72.3 p -51.29 -38.96 55.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.53 -21.66 64.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.699 ' CZ2' ' CE1' ' A' ' 135' ' ' HIS . 34.5 t90 -87.45 -20.2 26.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 134' ' ' GLU . 81.5 t -82.37 -62.3 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.429 ' CB ' HD11 ' A' ' 65' ' ' LEU . 33.8 ptt180 -37.65 -28.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 132' ' ' VAL . 41.1 tt0 -87.13 -64.19 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.699 ' CE1' ' CZ2' ' A' ' 131' ' ' TRP . 8.2 m-70 -55.41 -52.74 62.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -38.06 -66.77 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 91.3 p -46.2 -29.65 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -70.9 -43.51 58.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.517 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -67.19 -31.36 71.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.941 0.4 . . . . 0.0 110.935 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.86 111.79 26.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.114 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.0 t -155.18 150.2 26.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . 0.401 ' HB3' ' NH1' ' A' ' 142' ' ' ARG . 14.0 ttp-105 -42.77 141.61 1.04 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -108.84 52.68 0.7 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.836 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 90.1 m -112.56 121.66 45.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.3 m -95.28 -64.27 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 84.5 p -46.65 142.37 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 70.6 m -86.99 95.5 9.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 108.19 141.15 9.56 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.484 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 113.83 3.5 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.255 . . . . 0.0 112.32 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 151' ' ' SER . 37.8 t -84.92 125.27 32.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 150' ' ' SER . 4.9 m -35.48 123.08 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.459 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -61.95 123.3 17.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.891 0.377 . . . . 0.0 110.885 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -69.98 -42.62 72.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.74 122.42 3.23 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.2 p -161.84 153.93 19.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 110.885 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.0 m -111.54 -54.64 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.39 79.07 1.43 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.03 -16.17 60.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.784 0.326 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -65.75 -46.18 79.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.77 -38.96 76.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 12' ' ' ALA . 37.5 mt-10 -70.98 -51.9 22.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . -36.31 -65.54 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -49.87 -52.4 33.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.414 HD21 ' CD1' ' A' ' 45' ' ' ILE . 47.4 tp -49.24 -64.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -36.22 -45.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -63.16 -59.31 4.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.5 mt -48.35 -53.37 17.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -50.06 -41.19 47.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.8 tp -67.68 -51.33 50.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.9 mt -50.97 -60.3 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -37.13 -39.92 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t -79.92 -43.23 22.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 95.9 mmm -52.71 -16.08 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -126.61 83.29 65.22 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 26' ' ' GLY . 54.0 Cg_endo -69.75 -39.0 7.05 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' PRO . . . -35.43 131.05 0.69 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.28 -20.47 65.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.874 0.368 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -132.09 43.11 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -102.09 -52.77 3.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -125.28 140.01 53.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.2 mp -134.4 118.02 25.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.414 ' CG1' ' HA ' ' A' ' 35' ' ' GLN . 55.8 t -91.41 94.31 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -49.15 -59.82 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -83.04 48.21 1.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.414 ' HA ' ' CG1' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -41.99 -42.94 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 37' ' ' ALA . 5.2 tp -52.19 -47.28 65.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 36' ' ' LEU . . . -37.28 -53.82 1.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.6 t -57.74 -45.78 86.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.092 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.2 -51.08 57.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -58.39 -55.21 37.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.42 ' CD1' ' HD2' ' A' ' 53' ' ' ARG . 28.6 tp -49.74 -40.26 40.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -64.38 -47.54 78.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -62.66 -35.93 81.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 7.5 m -60.17 -48.68 80.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.414 ' CD1' HD21 ' A' ' 14' ' ' LEU . 58.1 mt -61.72 -60.24 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -50.82 -51.21 53.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -70.32 -2.23 12.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt 44.71 44.45 7.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.888 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.9 t -154.5 112.53 3.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 18.8 mmt -78.93 85.92 4.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -56.72 -40.23 75.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 130.1 77.18 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.42 ' HD2' ' CD1' ' A' ' 41' ' ' LEU . 23.0 mtp85 -44.55 123.47 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 110.871 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.9 m -114.53 39.73 2.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.0 m -168.24 129.34 1.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -82.89 135.89 34.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.0 t -66.7 99.4 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.092 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -105.56 119.37 38.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -141.01 134.94 30.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 54.7 m -106.29 132.51 52.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 58.3 mt -106.43 130.35 58.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -101.66 114.96 29.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.402 ' HE2' ' NH2' ' A' ' 133' ' ' ARG . 70.3 mtp -120.44 123.97 44.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 64' ' ' ASN . 0.6 OUTLIER -98.91 114.29 26.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.437 ' CD1' ' HA ' ' A' ' 133' ' ' ARG . 0.5 OUTLIER -128.87 145.79 51.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.03 127.25 32.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.448 ' CG2' ' N ' ' A' ' 68' ' ' SER . 33.6 m -99.94 -50.88 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.448 ' N ' ' CG2' ' A' ' 67' ' ' VAL . 1.8 m -173.13 174.88 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 47.5 50.54 14.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 41.02 30.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -123.84 162.8 22.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 5.6 ptm -134.13 171.37 14.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -138.78 165.54 26.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 3.2 tpt -93.94 118.73 31.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.412 ' CE2' HD13 ' A' ' 99' ' ' LEU . 3.9 m-85 -105.15 119.4 38.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.8 m -98.63 128.2 44.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 mp -116.18 93.54 4.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.16 101.12 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.3 t -109.9 124.39 51.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 67.0 mt -113.49 133.04 60.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.2 mt -104.42 107.98 59.25 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.594 0.712 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -177.49 1.9 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.723 2.282 . . . . 0.0 112.364 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -92.67 26.85 2.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.51 ' O ' ' C ' ' A' ' 85' ' ' TYR . 7.4 mttt -119.63 -47.15 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.652 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.1 t80 -28.25 140.43 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.684 0.754 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.652 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.3 Cg_endo -69.75 -8.01 10.27 Favored 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.288 -0.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.455 ' HB2' ' C ' ' A' ' 84' ' ' LYS . . . -33.48 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.089 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.482 HG11 ' CD ' ' A' ' 84' ' ' LYS . 2.3 m -104.36 129.96 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.1 mt -52.99 154.09 5.51 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.62 0.724 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.611 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.7 Cg_endo -69.78 176.24 7.05 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 91' ' ' GLU . 1.0 OUTLIER -112.18 83.81 1.86 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 36.6 mt -89.35 124.55 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.7 m -123.78 104.26 8.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.475 ' O ' ' CG ' ' A' ' 104' ' ' GLN . 21.9 t -75.45 126.21 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -137.22 140.56 41.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.5 t -157.54 137.34 12.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.46 HG22 ' CD2' ' A' ' 98' ' ' LEU . 27.7 m -59.32 -31.39 46.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.46 ' CD2' HG22 ' A' ' 97' ' ' VAL . 1.5 mm? -66.04 -55.48 16.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.412 HD13 ' CE2' ' A' ' 75' ' ' PHE . 39.3 mt -63.41 154.68 31.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.8 t -88.06 155.8 19.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -48.23 -39.24 20.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.0 m -77.99 -55.67 5.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 104' ' ' GLN . 51.3 mt-30 -50.15 -62.99 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.489 ' O ' ' ND2' ' A' ' 108' ' ' ASN . 4.3 tp60 -34.7 -53.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.417 ' HA ' ' OD1' ' A' ' 108' ' ' ASN . 92.8 m -51.6 -58.5 6.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -42.13 -39.13 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.3 tt -64.53 -73.13 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 104' ' ' GLN . 0.9 OUTLIER -45.2 -41.09 7.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.3 m -48.94 -37.1 19.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -87.81 -36.93 16.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.468 HD21 ' CG2' ' A' ' 132' ' ' VAL . 7.0 tp -48.21 -44.07 32.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 113' ' ' ALA . 91.5 m -67.48 -60.02 2.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 112' ' ' THR . . . -36.63 -45.96 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -44.59 -54.74 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 116' ' ' GLN . 11.4 mt -64.08 -50.32 68.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 115' ' ' LEU . 90.3 mt-30 -35.47 -38.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.02 -61.65 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -59.12 -62.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 12.7 m -100.69 104.61 15.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -131.23 97.64 4.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 93.77 33.5 7.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.439 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.79 -179.22 6.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.548 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 33.3 m -113.19 112.65 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.8 m -162.06 105.16 1.17 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 46.5 mm -95.4 -50.61 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 127' ' ' ASN . 20.8 mt -44.62 -55.39 5.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 126' ' ' LEU . 16.5 m-80 -34.44 -40.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -69.31 -52.14 30.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 67.2 p -53.95 -27.47 31.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.117 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -78.06 -23.81 47.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.599 ' CE3' ' O ' ' A' ' 131' ' ' TRP . 32.8 t90 -85.8 -12.76 50.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.468 ' CG2' HD21 ' A' ' 111' ' ' LEU . 71.1 t -92.33 -56.3 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.174 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.437 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 0.9 OUTLIER -48.61 -19.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -94.43 -64.42 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 138' ' ' GLY . 5.9 m-70 -55.33 -47.82 75.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -34.7 -70.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 86.2 p -39.95 -34.95 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.816 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -60.78 -54.07 40.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -57.94 -45.78 86.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.933 0.397 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -76.5 120.01 25.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 19.6 t -147.17 127.67 14.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 19.5 mmm-85 57.91 48.5 13.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -41.95 -48.57 4.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.9 t -38.27 149.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.185 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.5 -25.14 17.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.3 t 45.23 47.36 10.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 62.3 p -102.38 -57.08 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 121.93 148.97 7.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -2.35 9.97 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.743 2.295 . . . . 0.0 112.34 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 68.1 m -48.85 104.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.2 t 62.81 45.82 5.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.453 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.0 m -135.46 107.47 7.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.36 . . . . 0.0 110.858 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 t -87.89 -63.31 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.94 82.76 1.29 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 p -100.71 130.57 46.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.903 0.382 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -101.0 -36.34 9.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.428 ' HA3' ' CE ' ' A' ' 50' ' ' MET . . . -92.93 60.93 2.32 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -49.91 -54.24 20.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.775 0.321 . . . . 0.0 110.911 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 12' ' ' ALA . 43.2 mt-30 -44.16 -67.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.44 ' HB1' ' CE ' ' A' ' 50' ' ' MET . . . -37.99 -39.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -75.19 -37.93 61.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 9' ' ' GLN . . . -48.56 -50.42 32.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -65.21 -62.1 1.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 15' ' ' ALA . 46.9 tp -40.97 -62.91 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.05 -52.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -57.16 -51.4 69.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.1 mt -51.02 -64.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -36.31 -49.36 0.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 tt -55.12 -60.53 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' MET . 22.4 mt -42.44 -64.7 0.56 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.41 -41.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 m -73.99 -44.38 54.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 20' ' ' LEU . 39.7 mmm -60.34 -39.11 85.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -109.47 81.83 1.94 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -42.17 3.56 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.709 2.272 . . . . 0.0 112.309 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.57 132.25 26.46 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 28' ' ' ASN . 2.4 pm0 -56.75 -34.04 67.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.877 0.37 . . . . 0.0 110.868 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.441 ' N ' ' HG2' ' A' ' 27' ' ' GLU . 16.4 t-20 -83.51 -38.83 21.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -38.65 -47.79 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.24 128.84 20.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.468 ' CD1' ' ND2' ' A' ' 62' ' ' ASN . 5.3 mp -124.7 119.1 55.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.1 t -96.05 105.98 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.072 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.495 ' HB2' ' CD2' ' A' ' 58' ' ' TYR . 55.8 m-80 -73.46 -48.15 35.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -84.77 88.73 7.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -76.6 -41.78 44.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.98 -54.12 39.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -41.81 -61.94 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.428 ' CG1' ' HE3' ' A' ' 42' ' ' LYS . 93.9 t -49.52 -57.09 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.35 -40.73 50.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.1 -41.95 98.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 tp -54.22 -51.66 63.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.428 ' HE3' ' CG1' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -56.59 -51.38 68.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.813 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -57.65 -42.93 84.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 48' ' ' LYS . 3.5 t -52.3 -56.53 14.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.0 mt -50.78 -58.72 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -53.65 -39.45 65.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -78.84 -20.32 49.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 44' ' ' CYS . 26.0 mtmt 44.29 48.82 7.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.6 t -124.07 -17.09 6.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.44 ' CE ' ' HB1' ' A' ' 10' ' ' ALA . 0.0 OUTLIER 43.06 51.49 5.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.936 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -108.15 -30.13 8.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.47 ' O ' ' C ' ' A' ' 53' ' ' ARG . . . -60.71 -97.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.447 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.571 ' HB3' ' CD1' ' A' ' 83' ' ' PHE . 7.3 mmt85 30.87 42.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 110.885 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' GLY . 6.4 t -82.46 -39.84 21.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.2 m -118.12 144.59 45.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -79.8 145.18 32.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.4 t -73.64 97.84 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.495 ' CD2' ' HB2' ' A' ' 33' ' ' ASN . 24.3 t80 -100.5 123.32 44.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -150.41 127.34 11.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.1 m -94.2 146.13 24.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.0 mt -122.24 124.57 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.468 ' ND2' ' CD1' ' A' ' 31' ' ' ILE . 72.0 m-80 -97.18 123.49 40.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 26.6 mtm -129.88 116.04 18.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -83.9 134.21 34.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.82 152.48 41.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -75.54 77.58 2.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.481 HG23 ' N ' ' A' ' 68' ' ' SER . 0.4 OUTLIER -51.03 -71.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.481 ' N ' HG23 ' A' ' 67' ' ' VAL . 6.1 t -174.09 -179.62 1.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 56.91 50.18 12.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 42.98 30.13 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -137.19 173.31 11.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.6 ptm -132.45 156.99 45.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.58 171.19 11.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 68.6 mtp -112.95 131.43 55.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -110.3 116.55 31.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 72.8 p -88.9 113.74 24.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.0 mp -102.23 96.01 6.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.84 93.63 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.061 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 60.1 m -91.19 140.36 29.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 78.3 mt -140.53 115.52 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 76.2 mt -88.28 119.84 70.36 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.627 0.727 . . . . 0.0 110.921 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -175.27 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.261 . . . . 0.0 112.361 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 53' ' ' ARG . 27.2 m-85 -99.06 27.34 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.51 ' O ' ' C ' ' A' ' 85' ' ' TYR . 1.8 mtpp -128.65 -39.28 1.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.647 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.6 t80 -28.32 141.39 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.659 0.742 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.647 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.7 Cg_endo -69.79 -8.89 10.8 Favored 'Cis proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.356 -0.061 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.494 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -30.87 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 4.3 m -104.43 127.21 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 28.1 mt -46.59 158.67 0.39 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.595 0.712 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.598 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.1 Cg_endo -69.73 178.71 4.28 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.642 2.228 . . . . 0.0 112.343 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -119.78 68.92 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 69.8 mt -75.9 131.63 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.6 m -125.01 98.08 5.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 4.8 t -73.51 132.07 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -130.63 155.19 46.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 34.8 t -171.54 124.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.401 ' CG1' ' N ' ' A' ' 98' ' ' LEU . 1.9 p -56.65 -37.97 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.091 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.401 ' N ' ' CG1' ' A' ' 97' ' ' VAL . 22.3 mt -60.51 -47.22 87.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 19.7 mt -59.97 153.54 21.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.5 m -94.3 174.87 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -58.22 -42.74 86.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.1 m -75.62 -61.27 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -42.33 -65.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -39.8 -53.05 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 28.9 m -49.39 -63.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -41.0 -51.97 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.525 HD12 ' CD2' ' A' ' 139' ' ' TYR . 8.1 tt -52.28 -58.56 6.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -42.09 -49.34 4.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 54.9 m -63.45 -47.97 79.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 111' ' ' LEU . 6.7 m-20 -56.81 -59.88 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.463 HD11 ' CE3' ' A' ' 131' ' ' TRP . 18.2 tp -36.44 -57.49 0.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 60.3 m -51.54 -53.86 33.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -41.6 -57.66 2.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.537 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 22.4 t80 -38.92 -57.01 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 117' ' ' LYS . 49.1 mt -61.47 -53.81 51.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 115' ' ' LEU . 54.9 mt-30 -36.06 -32.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 115' ' ' LEU . 9.6 ttmt -99.08 -64.23 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -51.8 -51.46 56.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.803 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 8.6 t -120.77 105.55 10.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -130.73 78.31 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 119.87 27.44 2.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -147.05 175.75 10.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.564 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 34.5 m -105.27 115.15 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 5.2 m -160.92 105.76 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.5 mm -93.85 -44.16 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 22.6 mt -52.8 -47.73 67.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.537 ' OD1' ' CZ ' ' A' ' 114' ' ' PHE . 8.5 t-20 -44.61 -28.95 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.88 -45.31 14.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 59.5 p -61.25 -27.12 68.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -81.34 -17.99 47.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.577 ' CE3' ' O ' ' A' ' 131' ' ' TRP . 8.5 t90 -93.26 -14.68 26.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 134' ' ' GLU . 21.1 t -94.01 -57.49 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 132' ' ' VAL . 6.6 ptm180 -36.74 -29.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 132' ' ' VAL . 32.7 tt0 -90.67 -54.7 3.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.453 ' O ' ' C ' ' A' ' 136' ' ' ALA . 23.4 m-70 -62.92 -55.55 24.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.89 -68.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.065 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.3 m -51.44 -38.26 52.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -55.64 -47.97 74.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.505 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.525 ' CD2' HD12 ' A' ' 107' ' ' LEU . 68.8 m-85 -56.96 -53.59 56.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.917 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 89.5 t -42.93 115.72 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 6.8 m -121.79 34.71 5.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.822 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -111.39 101.12 9.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -103.42 46.5 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 11.2 t -123.43 149.91 44.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 64.0 p -138.64 146.29 41.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 58.9 m -116.08 150.95 36.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.822 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.9 m -169.57 159.41 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 175.58 128.55 1.12 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.436 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -5.65 16.71 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.243 . . . . 0.0 112.361 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 14.8 t -65.65 139.78 58.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 39.0 m -102.7 -49.71 3.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 p -89.59 157.01 18.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 110.855 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 m -108.42 89.64 3.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.08 -171.58 12.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.4 p -130.03 148.3 51.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.886 0.374 . . . . 0.0 110.852 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -57.67 150.07 20.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.83 99.0 2.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.96 -57.1 14.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.762 0.315 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -42.94 -58.57 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.41 -40.44 1.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -75.72 -41.03 54.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.74 -48.97 10.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -68.81 -61.4 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 15' ' ' ALA . 19.0 tp -44.96 -62.53 1.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.3 -62.82 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.061 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -49.8 -55.25 14.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.0 mt -43.78 -54.17 5.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -53.49 -41.67 66.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 tp -65.94 -50.98 62.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.7 mt -46.48 -52.32 13.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.05 -45.81 1.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.043 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -79.7 -35.79 38.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 82.4 mmm -52.51 -34.38 49.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -110.84 77.0 1.28 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.617 0.722 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' GLY . 53.7 Cg_endo -69.74 -31.79 19.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.257 . . . . 0.0 112.323 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' PRO . . . -38.12 151.86 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.478 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -74.55 128.63 36.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.824 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 57.19 43.36 24.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -86.58 -69.25 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.59 135.86 44.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.37 120.26 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.5 t -100.0 94.34 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -62.9 -45.81 90.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -85.23 58.61 5.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -56.0 -42.26 76.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.966 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.5 tp -55.11 -49.57 71.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.45 -53.35 4.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.9 t -61.41 -41.12 88.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.6 -45.84 84.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -60.06 -38.92 84.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 14.7 tp -52.83 -48.9 66.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.08 -58.73 6.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -42.42 -47.51 5.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 74.5 m -54.31 -49.96 68.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 24.2 mt -61.58 -55.63 23.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -52.08 -48.78 64.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -74.62 -8.23 55.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.4 mttp 38.91 43.48 0.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 t -119.54 -15.12 9.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 47.17 49.62 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -48.9 -57.58 6.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.87 129.31 2.65 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.488 ' HG2' ' CE1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -104.23 148.57 26.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.328 . . . . 0.0 110.907 -179.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.2 t -118.64 -18.68 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.787 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.1 m -94.18 102.27 14.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.468 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 29.0 mttt -63.8 128.86 37.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.4 t -56.0 97.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -103.39 123.15 46.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -149.69 132.08 15.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.4 m -100.38 140.4 34.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.2 mt -113.49 129.58 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.417 ' HB3' ' CG ' ' A' ' 74' ' ' MET . 77.2 m-20 -106.33 114.07 27.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.419 ' C ' ' HE2' ' A' ' 74' ' ' MET . 26.6 mtp -117.64 114.16 22.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -80.55 110.84 16.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' A' ' 133' ' ' ARG . 0.4 OUTLIER -138.57 162.44 34.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -73.01 147.82 44.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.47 HG13 ' CD1' ' A' ' 98' ' ' LEU . 23.3 m -125.23 -50.11 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.423 ' N ' HG22 ' A' ' 67' ' ' VAL . 27.3 p -167.63 176.97 6.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 70' ' ' GLU . 69.7 m-20 37.65 53.83 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 69' ' ' ASP . 27.8 tt0 35.01 43.24 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -119.32 167.58 11.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 17.2 mtp -122.2 158.5 29.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -155.47 163.47 39.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.419 ' HE2' ' C ' ' A' ' 63' ' ' MET . 1.9 tpt -95.95 144.5 26.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -121.54 109.8 15.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.3 m -83.72 119.66 25.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 mp -112.9 94.68 5.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.0 96.4 2.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 53.5 t -102.28 127.7 49.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.468 ' CG2' ' HB3' ' A' ' 56' ' ' LYS . 85.6 mt -126.17 103.36 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.5 mt -74.03 120.64 82.35 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.639 0.733 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -170.8 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.488 ' CE1' ' HG2' ' A' ' 53' ' ' ARG . 29.0 m-85 -92.75 -11.59 33.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.489 ' O ' ' C ' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -88.22 -39.35 14.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.708 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 3.7 t80 -30.48 142.42 0.1 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.644 0.735 . . . . 0.0 110.94 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.708 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.6 Cg_endo -69.77 -8.91 10.78 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.349 -0.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.491 ' C ' ' O ' ' A' ' 86' ' ' PRO . . . -29.11 -72.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.464 ' CG2' ' HD3' ' A' ' 84' ' ' LYS . 3.0 m -107.45 126.67 63.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.8 mt -44.46 158.0 0.29 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.618 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.2 Cg_endo -69.76 -172.92 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.663 2.242 . . . . 0.0 112.35 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -121.98 60.64 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.9 mt -65.29 132.31 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 85.3 m -125.93 98.42 5.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.413 ' CG2' ' CD2' ' A' ' 111' ' ' LEU . 20.7 t -73.36 134.21 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -143.08 158.13 43.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -171.77 132.51 0.72 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.4 m -56.42 -27.45 24.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.47 ' CD1' HG13 ' A' ' 67' ' ' VAL . 27.3 mt -67.12 -55.05 15.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.6 mt -64.66 167.5 7.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.95 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.2 m -106.33 171.26 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.418 ' C ' ' HD3' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -63.04 -14.35 47.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.9 m -94.48 -62.37 1.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -51.78 -56.15 15.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -46.03 -44.54 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 92.5 m -59.18 -53.23 60.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -55.39 -40.16 71.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.493 HD11 ' CD2' ' A' ' 139' ' ' TYR . 8.1 tt -60.88 -43.99 97.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -63.65 -47.42 81.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 58.5 m -47.43 -38.31 13.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -81.91 -45.8 14.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.413 ' CD2' ' CG2' ' A' ' 94' ' ' VAL . 18.6 tp -45.09 -42.28 8.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 95.8 m -71.61 -47.58 53.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.56 -45.73 73.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.495 ' CD1' ' CD1' ' A' ' 131' ' ' TRP . 45.6 t80 -42.57 -67.34 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 116' ' ' GLN . 15.5 mt -53.87 -55.92 22.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 115' ' ' LEU . 14.7 mm-40 -34.78 -37.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 115' ' ' LEU . 18.3 ttpt -97.98 -64.93 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -52.0 -60.78 2.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 8.0 m -127.62 113.41 16.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -150.36 113.47 4.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 130.89 -28.58 3.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.19 165.87 13.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.423 HG13 ' CE2' ' A' ' 85' ' ' TYR . 15.9 m -74.8 100.47 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 68.6 m -134.91 86.46 2.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.6 mm -90.07 -37.4 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.78 -30.2 71.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -59.94 -41.51 91.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.1 -53.6 47.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 61.0 p -51.31 -42.18 61.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.179 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -64.39 -22.91 67.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.609 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 20.7 t90 -85.7 -23.86 27.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 134' ' ' GLU . 96.0 t -81.93 -59.24 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.419 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 7.3 ptt180 -40.28 -28.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 132' ' ' VAL . 4.6 tp10 -90.84 -64.25 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.609 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 5.4 m-70 -52.2 -53.73 39.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.98 -69.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 52.9 p -37.51 -40.54 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -63.09 -54.33 33.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.493 ' CD2' HD11 ' A' ' 107' ' ' LEU . 77.8 m-85 -55.78 -53.21 59.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.918 0.389 . . . . 0.0 110.945 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.406 ' CG1' ' HB ' ' A' ' 67' ' ' VAL . 59.8 t -48.35 115.02 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.3 t -163.15 121.85 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 35.8 ttt85 -91.42 86.64 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.41 -57.16 3.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 8.9 t -63.34 144.21 57.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.148 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 146' ' ' SER . 22.7 t -73.69 -60.73 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 145' ' ' SER . 77.4 p 37.19 44.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 84.6 p -139.3 154.75 47.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.803 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -171.1 141.5 6.51 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -8.53 23.85 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 8.6 t -39.35 131.34 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 26.3 t -128.8 81.96 2.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.526 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 p -152.73 170.97 18.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.9 0.381 . . . . 0.0 110.828 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -60.13 99.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.829 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.19 -60.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.461 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 m -98.71 160.36 14.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.939 0.4 . . . . 0.0 110.825 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m -91.59 97.39 11.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.76 -49.99 1.32 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -46.69 -34.31 5.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -42.03 -53.01 4.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.552 ' CB ' ' NH2' ' A' ' 53' ' ' ARG . . . -51.64 -50.47 60.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -61.86 -40.6 95.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -46.03 -42.64 13.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -80.43 -49.52 11.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.453 HD22 ' CD1' ' A' ' 45' ' ' ILE . 18.2 tp -53.84 -62.34 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.88 -52.82 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -56.96 -58.97 5.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.3 mt -45.92 -58.79 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -46.87 -41.04 15.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.5 tp -69.61 -49.49 53.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' ALA . 32.9 mt -49.46 -60.02 3.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -35.41 -47.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.0 m -74.96 -45.3 43.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 86.0 mmm -46.01 -38.82 8.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -108.38 79.21 0.94 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.612 0.72 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -21.74 33.1 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.26 . . . . 0.0 112.333 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -44.64 163.93 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.484 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -80.73 -40.08 25.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.933 0.397 . . . . 0.0 110.919 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -123.21 50.56 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -102.41 -37.7 7.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.419 ' C ' HD13 ' A' ' 31' ' ' ILE . 0.4 OUTLIER -144.63 146.36 32.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.419 HD13 ' C ' ' A' ' 30' ' ' LEU . 5.4 mp -142.79 124.19 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.5 t -98.64 95.48 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -65.71 -50.97 62.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -88.14 87.97 7.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.81 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -78.06 -41.41 35.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tp -43.45 -57.62 2.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -38.1 -50.85 1.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 79.7 t -66.69 -58.97 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.119 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -37.97 -53.39 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -60.47 -43.59 96.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.3 tp -48.18 -49.85 31.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.5 -44.91 96.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -56.42 -43.15 79.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.414 ' SG ' ' HA ' ' A' ' 50' ' ' MET . 1.4 t -60.46 -52.48 65.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.453 ' CD1' HD22 ' A' ' 14' ' ' LEU . 21.0 mt -61.01 -54.26 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -51.37 -49.93 60.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -67.74 -3.03 8.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.8 mttt 50.57 40.85 24.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.4 ' O ' ' SG ' ' A' ' 44' ' ' CYS . 4.3 t -146.19 116.13 7.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.414 ' HA ' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -82.3 87.31 6.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -83.31 -34.52 25.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 129.82 125.09 2.68 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.524 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.572 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 8.1 mmt85 -51.84 148.96 5.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 0.0 110.92 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.9 p -86.25 -40.37 15.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 m -158.45 155.07 27.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.471 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 6.3 mtmm -65.24 137.81 57.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.9 t -73.26 102.16 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -98.28 115.17 27.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 29.6 p90 -143.08 120.08 11.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.439 ' CG2' ' HB3' ' A' ' 76' ' ' SER . 25.7 m -91.25 138.68 31.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.143 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.2 mt -113.48 123.46 69.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -97.71 120.15 37.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 35.2 mtp -124.36 110.38 14.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -80.35 128.09 33.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' A' ' 133' ' ' ARG . 0.8 OUTLIER -142.72 149.17 38.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.14 131.25 35.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.1 m -109.04 -43.52 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.8 p -175.07 173.74 2.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.817 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 71' ' ' LYS . 2.2 t70 49.1 50.37 18.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 38.55 28.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -114.63 -179.14 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.2 ptm -153.94 160.48 42.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -129.8 158.84 38.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 22.9 ttm -90.35 125.92 35.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 136' ' ' ALA . 25.3 m-85 -108.3 105.88 15.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.439 ' HB3' ' CG2' ' A' ' 60' ' ' THR . 16.2 m -86.1 124.33 32.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.2 mp -112.46 94.15 4.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.14 95.77 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 28.5 m -98.08 121.66 40.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 56' ' ' LYS . 86.8 mt -125.96 119.25 54.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.417 ' O ' ' HG2' ' A' ' 56' ' ' LYS . 34.5 mt -86.63 110.03 28.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.732 . . . . 0.0 110.936 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 179.29 3.77 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.378 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 53' ' ' ARG . 2.9 m-85 -82.69 20.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.516 ' O ' ' C ' ' A' ' 85' ' ' TYR . 21.2 mmtt -115.27 -50.15 2.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.676 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.9 t80 -27.34 140.87 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.672 0.749 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.676 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 54.1 Cg_endo -69.79 -9.17 10.94 Favored 'Cis proline' 0 C--N 1.341 0.14 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.31 0.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.474 ' HB2' ' C ' ' A' ' 84' ' ' LYS . . . -33.33 -76.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.404 ' O ' HG22 ' A' ' 88' ' ' VAL . 2.5 m -99.5 129.52 49.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.3 mt -48.24 157.64 0.65 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.706 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.613 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.2 Cg_endo -69.76 156.46 63.28 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.636 2.224 . . . . 0.0 112.376 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -90.82 77.83 6.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 31.5 mt -83.7 106.81 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 85.6 m -102.76 108.72 20.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.2 t -81.38 132.65 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -131.68 149.61 52.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 43.7 t -172.7 134.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.45 ' CG1' HD22 ' A' ' 98' ' ' LEU . 4.3 p -64.2 -32.72 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.13 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.45 HD22 ' CG1' ' A' ' 97' ' ' VAL . 15.6 mt -65.84 -43.15 89.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 49.8 mt -70.19 138.29 51.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.4 t -83.65 152.84 24.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -45.95 -34.76 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.1 m -78.19 -54.48 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -53.47 -55.66 23.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -40.35 -53.67 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 89.1 m -45.78 -61.33 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -49.82 -55.03 15.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.6 tt -42.79 -60.2 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -50.13 -51.82 40.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 23.0 m -43.45 -42.62 4.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.531 ' HB3' ' CH2' ' A' ' 131' ' ' TRP . 0.7 OUTLIER -75.27 -56.85 4.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 110' ' ' ASP . 11.1 tp -36.63 -60.16 0.62 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.0 m -56.54 -49.46 74.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -48.58 -53.76 17.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 113' ' ' ALA . 8.0 t80 -35.47 -60.6 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.56 -51.33 70.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -45.4 -32.8 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -64.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -92.42 -65.04 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 86.0 m -71.06 90.81 0.86 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -143.14 116.67 9.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 97.46 -18.64 57.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.477 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.43 160.45 17.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 15.7 m -84.53 110.94 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 28.1 m -154.55 105.29 2.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.439 ' CD1' ' HG3' ' A' ' 90' ' ' PRO . 47.1 mm -96.09 -50.99 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 127' ' ' ASN . 12.6 mt -45.23 -50.97 11.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 126' ' ' LEU . 9.8 m120 -36.65 -43.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.86 -51.58 63.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 30.1 p -55.28 -33.82 63.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -70.17 -29.06 65.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.562 ' CE3' ' O ' ' A' ' 131' ' ' TRP . 24.0 t90 -82.74 -22.42 34.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.5 ' O ' ' N ' ' A' ' 134' ' ' GLU . 98.9 t -87.97 -56.53 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.453 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 10.8 ptp180 -38.43 -26.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 132' ' ' VAL . 4.3 tp10 -95.26 -64.52 1.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.461 ' O ' ' C ' ' A' ' 136' ' ' ALA . 37.9 m-70 -53.61 -51.38 63.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 75' ' ' PHE . . . -33.26 -70.32 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 21.9 m -45.51 -41.79 10.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -53.92 -54.27 32.05 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 68.2 m-85 -54.33 -53.46 53.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.946 0.403 . . . . 0.0 110.888 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 52.1 t -47.82 123.11 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 142' ' ' ARG . 36.2 m -109.82 136.65 48.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 141' ' ' SER . 15.2 ttm180 -35.46 123.29 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.35 109.47 11.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 80.5 p -91.09 146.97 23.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 79.5 p -157.35 115.17 3.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.1 t -72.21 119.02 15.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 38.4 p -102.97 134.27 46.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -67.65 120.16 12.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 161.54 45.54 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.64 2.226 . . . . 0.0 112.313 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.3 m -158.86 127.97 5.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 57.2 p -52.56 133.56 35.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.474 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 m -90.98 160.75 15.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.883 0.373 . . . . 0.0 110.831 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -45.99 133.3 8.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.803 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.42 -125.45 1.21 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -48.01 136.93 10.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.929 0.395 . . . . 0.0 110.794 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -122.02 98.93 6.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.81 45.67 3.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.459 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -55.32 -37.28 67.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -45.38 -51.79 10.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.99 -42.69 38.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -69.3 -42.22 75.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -47.07 -51.36 17.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -67.73 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.473 HD12 ' CD ' ' A' ' 42' ' ' LYS . 54.1 tp -40.05 -59.93 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.36 -59.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -52.67 -55.4 22.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.7 mt -47.44 -63.89 0.93 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -41.04 -55.84 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' LEU . 3.4 tt -51.47 -62.68 1.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 23' ' ' MET . 18.4 mt -36.01 -59.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.69 -43.18 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.162 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 t -76.45 -39.7 52.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.499 ' N ' ' O ' ' A' ' 20' ' ' LEU . 91.2 mmm -53.49 -39.18 64.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -109.08 77.43 0.86 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 26' ' ' GLY . 53.6 Cg_endo -69.75 -20.46 34.84 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.366 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' PRO . . . -34.32 149.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.449 ' HG2' ' N ' ' A' ' 28' ' ' ASN . 0.4 OUTLIER -72.25 -35.95 68.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 110.843 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.449 ' N ' ' HG2' ' A' ' 27' ' ' GLU . 5.2 m-80 -133.3 47.2 2.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -97.03 -73.24 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.13 128.72 43.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.464 HD12 ' ND2' ' A' ' 62' ' ' ASN . 5.1 mp -127.37 127.99 69.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.0 p -111.51 125.36 68.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -86.86 -50.85 6.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -88.44 89.84 8.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -81.98 -38.76 24.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.4 tp -45.73 -55.37 6.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.08 -45.92 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.097 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.2 t -69.26 -60.45 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -40.01 -47.28 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -67.59 -37.77 83.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.412 ' CD2' ' HB2' ' A' ' 14' ' ' LEU . 12.6 tp -56.47 -22.16 30.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.473 ' CD ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -83.38 -37.35 23.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.816 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -76.07 -50.31 15.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 45' ' ' ILE . 1.4 p -41.12 -41.5 1.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.444 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 34.9 mt -67.03 -50.67 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -58.05 -41.57 83.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -77.73 -23.25 49.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp 55.86 43.7 27.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.968 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.3 t -125.87 -12.27 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.493 ' N ' ' SD ' ' A' ' 50' ' ' MET . 0.0 OUTLIER 44.71 49.36 8.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -92.36 -45.04 8.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.5 ' O ' ' C ' ' A' ' 53' ' ' ARG . . . -58.06 -115.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.5 ' C ' ' O ' ' A' ' 52' ' ' GLY . 6.9 mtp-105 29.26 51.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.1 m -85.97 -35.57 20.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.1 m -108.41 159.42 16.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -85.43 130.52 34.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.08 97.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.169 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -97.65 122.15 40.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 40.1 p90 -155.44 126.07 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 27.6 m -96.39 158.94 15.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 85.5 mt -133.58 127.27 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.464 ' ND2' HD12 ' A' ' 31' ' ' ILE . 67.3 m-80 -103.91 121.04 42.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.3 mtm -124.25 123.27 39.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -85.31 114.41 22.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.424 ' CD1' ' HA ' ' A' ' 133' ' ' ARG . 1.4 mt -142.66 162.19 36.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -85.13 151.54 24.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.6 m -121.42 -45.23 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.0 t -173.74 171.21 3.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 49.76 37.49 13.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 48.96 31.06 3.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -101.37 169.87 8.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.2 mtp -128.72 153.01 47.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.466 ' CB ' HD12 ' A' ' 98' ' ' LEU . . . -156.84 156.07 32.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 47.0 mtp -87.63 148.7 24.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.451 ' CE2' ' HB2' ' A' ' 136' ' ' ALA . 16.8 m-85 -129.65 106.26 8.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.5 p -82.02 128.93 34.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 mp -123.08 95.25 4.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.959 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.6 93.32 1.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 12.0 m -92.98 125.02 37.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 81' ' ' LEU . 95.2 mt -126.02 142.33 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.42 ' N ' HG22 ' A' ' 80' ' ' ILE . 52.5 mt -113.67 115.76 46.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.583 0.706 . . . . 0.0 110.93 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -168.61 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -102.84 26.47 8.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.51 ' O ' ' C ' ' A' ' 85' ' ' TYR . 7.5 mttm -125.34 -42.39 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.681 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.7 t80 -28.85 141.35 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.71 0.767 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.681 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.8 -8.03 10.35 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.325 -0.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.481 ' HB2' ' CB ' ' A' ' 84' ' ' LYS . . . -32.18 -76.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.458 ' CG1' ' HD2' ' A' ' 84' ' ' LYS . 2.5 m -99.88 126.61 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.483 ' N ' HD21 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -42.46 160.88 0.18 Allowed Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.653 0.74 . . . . 0.0 110.913 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.583 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.1 Cg_endo -69.76 169.22 19.42 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.654 2.236 . . . . 0.0 112.345 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -111.03 66.18 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 69.8 mt -79.22 126.18 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 46.1 m -122.12 105.75 10.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.44 HG23 ' CD2' ' A' ' 107' ' ' LEU . 20.9 t -77.97 139.12 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -139.65 149.44 43.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 11.0 t -171.74 142.73 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.0 p -66.84 -34.22 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.466 HD12 ' CB ' ' A' ' 73' ' ' ALA . 13.1 mt -61.36 -52.28 65.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 7.3 mt -55.47 174.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.8 t -127.06 161.44 28.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -43.73 -41.0 4.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.855 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 m -76.05 -68.92 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 104' ' ' GLN . 80.7 mm-40 -41.35 -63.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 103' ' ' GLN . 20.9 tp60 -36.15 -64.45 0.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 88.4 m -41.52 -63.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -44.94 -42.79 8.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.521 ' HA ' ' CZ ' ' A' ' 139' ' ' TYR . 9.6 tt -63.56 -42.97 98.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -57.32 -51.67 68.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 47.8 m -55.45 -61.51 2.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 111' ' ' LEU . 2.1 m-20 -46.86 -59.08 3.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 110' ' ' ASP . 12.1 tp -34.01 -59.12 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 60.2 m -55.5 -54.47 43.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -38.48 -53.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -41.04 -61.97 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 116' ' ' GLN . 14.9 mt -61.07 -54.64 42.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.437 ' CD ' ' HG ' ' A' ' 89' ' ' LEU . 24.5 mm-40 -35.66 -39.71 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -94.46 -65.02 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -53.28 -59.75 4.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 48.3 m -104.86 96.27 6.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -129.55 135.12 48.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 80.85 -8.81 55.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.7 175.93 5.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.87 0.367 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.508 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 34.3 m -113.58 115.47 49.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 3.6 m -156.82 106.91 2.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 19.4 mm -90.47 -41.54 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 12.9 mt -47.96 -44.05 30.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -45.34 -38.19 5.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.09 -60.0 2.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.08 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 78.0 p -51.79 -27.09 11.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -81.12 -24.98 37.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.629 ' CZ2' ' ND1' ' A' ' 135' ' ' HIS . 9.0 t90 -91.37 -20.77 21.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 134' ' ' GLU . 24.5 t -84.11 -57.32 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.153 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 132' ' ' VAL . 20.0 ptt180 -35.29 -33.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 132' ' ' VAL . 7.6 tp10 -91.31 -67.96 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.629 ' ND1' ' CZ2' ' A' ' 131' ' ' TRP . 4.6 m-70 -42.91 -53.17 4.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.451 ' HB2' ' CE2' ' A' ' 75' ' ' PHE . . . -34.73 -68.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 136' ' ' ALA . 1.3 t -34.4 -39.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -67.65 -56.65 10.69 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.521 ' CZ ' ' HA ' ' A' ' 107' ' ' LEU . 79.4 m-85 -52.42 -20.45 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 0.0 110.933 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 1.8 t -98.73 163.41 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 18.3 m 63.27 47.16 4.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 143' ' ' ASP . 40.3 ttp180 41.72 43.27 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 142' ' ' ARG . 4.7 t0 36.06 47.33 0.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 31.8 p -140.46 127.77 21.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.128 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.8 t -96.16 138.69 33.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.0 t -65.09 133.16 51.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 88.7 p -101.75 169.94 8.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . 0.406 ' HA3' ' HD2' ' A' ' 149' ' ' PRO . . . 103.44 -143.12 15.68 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.538 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.406 ' HD2' ' HA3' ' A' ' 148' ' ' GLY . 53.6 Cg_endo -69.78 94.83 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.727 2.284 . . . . 0.0 112.328 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 7.6 t -82.31 -45.23 15.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.7 t -52.54 -52.75 53.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.464 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 t -84.47 117.78 23.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.897 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.6 t -59.34 107.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.38 -69.83 0.52 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.477 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.1 p -54.17 93.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.37 . . . . 0.0 110.898 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -70.68 -57.64 4.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.0 53.3 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 9' ' ' GLN . 12.8 pt-20 -64.4 -45.92 85.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.912 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.43 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 34.7 tt0 -39.74 -57.23 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.458 ' HB2' ' CG1' ' A' ' 45' ' ' ILE . . . -50.18 -51.94 39.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -59.93 -34.76 73.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.86 -50.81 70.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -71.61 -41.73 68.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 15' ' ' ALA . 30.4 tp -56.98 -64.88 0.73 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.99 -55.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.041 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -50.2 -44.95 53.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' LEU . 87.9 mt -58.5 -70.03 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -42.39 -42.78 3.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 tt -59.02 -55.35 36.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.5 mt -50.38 -55.48 15.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.02 -45.75 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.8 m -77.37 -38.49 49.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 65.5 mmm -48.65 -38.79 22.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.429 ' HB3' ' CD ' ' A' ' 29' ' ' GLU . 94.8 m-85 -108.01 82.09 1.39 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.683 0.754 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -19.96 35.41 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.26 . . . . 0.0 112.35 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.57 151.93 35.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -81.79 145.18 30.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.927 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 52.75 52.98 12.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.445 ' OE1' ' CB ' ' A' ' 30' ' ' LEU . 2.2 pp20? -116.41 -39.14 3.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.445 ' CB ' ' OE1' ' A' ' 29' ' ' GLU . 0.3 OUTLIER -134.28 134.02 41.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.432 HD12 ' ND2' ' A' ' 62' ' ' ASN . 4.9 mp -130.61 129.15 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.425 HG13 ' NE2' ' A' ' 35' ' ' GLN . 1.5 p -104.87 99.52 8.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -52.65 -55.98 18.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -90.51 77.58 6.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.425 ' NE2' HG13 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -68.55 -41.57 79.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.8 tp -52.52 -43.7 65.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.31 -39.33 2.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.6 t -72.71 -57.23 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -45.77 -52.93 10.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.61 -40.39 94.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.9 tp -59.51 -51.76 68.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -49.24 -46.63 46.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 44' ' ' CYS . 8.8 t0 -55.85 -57.86 10.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 43' ' ' ASP . 76.0 m -35.69 -55.01 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.458 ' CG1' ' HB2' ' A' ' 10' ' ' ALA . 68.0 mt -46.18 -59.69 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -58.92 -44.77 91.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -66.17 -11.04 46.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.5 mttt 57.86 43.31 21.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.8 t -154.4 124.79 6.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.414 ' HG3' ' NH2' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -83.81 49.28 1.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.832 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -133.16 120.23 20.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 53' ' ' ARG . . . 142.49 -44.27 0.99 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 52' ' ' GLY . 92.7 mtt180 -34.67 -66.88 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.341 . . . . 0.0 110.901 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 45.23 25.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.0 m -156.2 130.9 8.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -81.24 140.24 35.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 83.9 t -69.48 96.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -106.39 114.48 28.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 7.0 p90 -140.23 130.24 24.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 93.4 m -100.02 121.58 41.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 61.6 mt -98.69 125.92 51.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.432 ' ND2' HD12 ' A' ' 31' ' ' ILE . 83.5 m-20 -98.73 121.82 41.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 36.6 mtp -127.68 109.77 12.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.2 p-10 -84.19 114.56 21.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 133' ' ' ARG . 0.5 OUTLIER -140.54 162.55 35.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -78.66 151.86 32.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.461 ' CG1' HG22 ' A' ' 140' ' ' VAL . 20.5 m -123.64 -41.54 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.177 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 69' ' ' ASP . 1.6 t -175.41 179.58 1.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 68' ' ' SER . 15.9 m-20 33.8 54.2 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' ASP . 22.9 tt0 35.04 48.71 0.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.02 174.87 5.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.0 mtp -133.06 152.94 51.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.477 ' CB ' HD12 ' A' ' 98' ' ' LEU . . . -153.07 154.67 35.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 47.4 mtp -86.95 151.24 23.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.513 ' CZ ' ' HB1' ' A' ' 136' ' ' ALA . 25.9 m-85 -132.13 100.19 4.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.6 p -82.62 116.98 22.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 mp -108.65 94.83 5.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.92 98.75 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 2.7 m -100.0 130.73 46.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 89.9 mt -127.4 118.99 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.9 mt -95.71 107.51 34.2 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.608 0.718 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -176.77 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.256 . . . . 0.0 112.371 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -90.37 26.19 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.515 ' O ' ' C ' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -119.92 -49.75 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.675 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.7 t80 -28.36 142.07 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.667 0.746 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.675 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.7 Cg_endo -69.75 -2.44 7.13 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.321 -0.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.45 ' HB1' ' CB ' ' A' ' 84' ' ' LYS . . . -40.08 -73.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.408 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 2.8 m -104.11 127.23 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.4 mt -49.48 155.44 1.32 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.605 0.717 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.581 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.2 Cg_endo -69.77 168.98 20.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.71 2.273 . . . . 0.0 112.343 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -103.46 65.76 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.8 mt -70.81 110.3 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.144 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 89.3 m -111.45 102.96 11.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.7 t -73.23 135.67 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -140.93 146.07 36.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 98' ' ' LEU . 4.6 t -174.1 131.17 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 98' ' ' LEU . 7.4 p -37.5 -32.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.477 HD12 ' CB ' ' A' ' 73' ' ' ALA . 10.3 mt -66.66 -57.09 7.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.405 HD23 ' CG1' ' A' ' 140' ' ' VAL . 12.2 mt -74.84 126.02 30.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 66.9 m -110.7 -75.24 0.62 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.14 -75.02 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 70.3 m -52.54 -63.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.784 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -49.29 -56.13 10.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -55.4 -68.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 45.3 m -42.52 -48.41 5.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -57.58 -36.61 71.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.485 ' HA ' ' CZ ' ' A' ' 139' ' ' TYR . 9.7 tt -73.4 -55.28 6.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 24.9 m-20 -54.74 -46.98 74.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.2 m -47.16 -42.35 19.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 111' ' ' LEU . 1.9 m-20 -80.93 -53.83 6.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 110' ' ' ASP . 12.0 tp -33.81 -51.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 24.7 m -67.01 -53.1 34.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -47.19 -50.14 21.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.055 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.555 ' CE2' HD21 ' A' ' 115' ' ' LEU . 9.1 t80 -42.03 -59.17 1.83 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.555 HD21 ' CE2' ' A' ' 114' ' ' PHE . 29.3 mt -63.69 -55.33 24.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 115' ' ' LEU . 39.5 mt-30 -34.44 -48.53 0.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -82.18 -64.37 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -43.93 -61.68 1.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.801 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.8 t -123.1 120.27 32.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -133.33 83.11 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 124.65 43.38 0.31 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -159.42 178.44 9.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.546 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 17.1 m -109.6 91.22 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 11.5 m -134.81 89.82 2.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 43.8 mm -82.69 -49.6 16.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.1 mt -47.14 -47.27 23.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.527 ' ND2' ' CZ ' ' A' ' 114' ' ' PHE . 18.2 t30 -40.63 -38.35 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -68.88 -54.4 15.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 73.3 p -53.35 -28.81 30.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -77.81 -20.46 53.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.722 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 27.9 t90 -92.1 -28.39 17.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.402 ' CG2' HD11 ' A' ' 111' ' ' LEU . 71.7 t -79.93 -50.51 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.476 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 5.5 ptm180 -44.64 -29.21 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -93.55 -67.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.722 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 8.7 m-70 -45.81 -48.61 15.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.513 ' HB1' ' CZ ' ' A' ' 75' ' ' PHE . . . -33.37 -71.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 136' ' ' ALA . 11.7 m -36.87 -40.32 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -57.99 -59.48 10.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . 0.485 ' CZ ' ' HA ' ' A' ' 107' ' ' LEU . 86.6 m-85 -58.2 -41.3 83.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.955 0.407 . . . . 0.0 110.94 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.461 HG22 ' CG1' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -83.65 34.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.088 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 15.3 t -80.07 115.7 19.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -164.89 152.28 11.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -101.48 42.97 1.09 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 66.5 p -60.81 150.34 33.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.7 p -158.76 160.0 35.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 78.5 p -131.13 136.2 48.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.826 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 20.4 t -172.17 139.31 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 138.96 -157.55 24.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 2.19 3.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 2.238 . . . . 0.0 112.372 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 30.6 m -46.59 172.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 10.8 t -74.62 171.97 12.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.44 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -50.15 -46.01 53.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 110.818 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 m -89.03 108.36 19.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.07 -121.41 4.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 m -125.04 111.05 14.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 0.0 110.859 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 m -108.79 -50.56 3.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.12 112.16 0.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -97.79 -31.51 12.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 110.895 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -52.57 -46.63 66.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.94 87.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' ALA . 42.7 mt-10 -64.89 -45.58 85.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . -35.97 -63.2 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -51.99 -54.26 31.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' ALA . 39.3 tp -49.55 -60.62 2.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.62 -57.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -51.84 -62.4 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt -45.52 -55.9 5.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 18' ' ' ASP . 30.3 t0 -51.33 -42.77 61.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' LEU . 8.5 tp -66.51 -59.22 3.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 19' ' ' LEU . 16.2 mt -36.33 -54.82 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.58 -48.3 28.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 p -69.91 -38.95 76.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.802 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 53.1 mmm -56.95 -41.92 79.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.497 ' CB ' ' OE1' ' A' ' 29' ' ' GLU . 92.3 m-85 -107.23 74.23 0.39 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 0.0 110.837 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -21.49 33.42 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.718 2.279 . . . . 0.0 112.354 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.25 165.03 3.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -90.26 142.43 27.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.86 0.362 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 m120 60.55 48.81 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.497 ' OE1' ' CB ' ' A' ' 24' ' ' PHE . 2.3 pp20? -117.32 -38.79 3.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.427 ' CB ' ' OE1' ' A' ' 29' ' ' GLU . 1.1 tt -144.04 129.88 19.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.2 mp -131.08 117.36 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 51.2 t -94.4 94.49 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -64.98 -51.5 61.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -75.52 64.35 1.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -66.91 -27.39 67.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.8 tp -64.06 -36.41 83.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.69 -50.64 72.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.071 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.2 t -59.73 -39.12 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.91 -41.33 77.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -65.0 -44.38 89.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.2 tp -60.07 -58.62 7.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -48.91 -40.28 29.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.945 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 44' ' ' CYS . 15.4 t0 -69.39 -54.65 13.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 43' ' ' ASP . 22.3 m -37.54 -56.88 0.99 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.1 mt -51.41 -46.2 34.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -62.48 -48.85 77.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -65.05 -16.58 63.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.8 mttt 59.15 43.64 16.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.471 HG23 ' N ' ' A' ' 50' ' ' MET . 9.6 t -131.28 -38.01 1.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.471 ' N ' HG23 ' A' ' 49' ' ' THR . 12.2 ptp 32.96 46.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.87 -17.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.63 130.01 3.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.524 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.438 ' HB2' ' NH1' ' A' ' 53' ' ' ARG . 9.1 mtm105 -88.12 143.28 27.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.32 . . . . 0.0 110.929 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.6 t -98.26 -41.35 7.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.7 m -84.03 122.1 28.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.0 mttm -72.6 153.68 41.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.3 t -83.38 97.46 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.076 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -96.5 126.08 41.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 13.9 p90 -153.54 131.53 11.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 61' ' ' ILE . 26.1 m -98.86 150.0 22.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.173 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.41 ' N ' HG22 ' A' ' 60' ' ' THR . 53.0 mt -126.92 118.6 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -90.48 110.41 21.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 72.2 mtp -110.62 119.84 40.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -88.54 121.49 30.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.49 148.41 30.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -73.78 147.0 43.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.2 m -122.79 -48.24 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.3 t -175.22 170.54 3.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 71' ' ' LYS . 4.6 m-20 50.9 51.87 16.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 38.35 28.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 69' ' ' ASP . 24.8 mtpp -115.78 176.36 5.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.23 164.03 32.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.7 165.78 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 40.9 mtp -96.49 137.95 34.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -117.54 117.83 30.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.8 m -89.44 126.42 35.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.1 mp -117.89 93.95 4.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.967 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.74 94.26 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 52.5 m -95.57 115.54 27.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 78.2 mt -118.94 118.76 58.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.9 mt -91.88 118.89 68.49 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.629 0.728 . . . . 0.0 110.933 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -170.56 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.67 2.246 . . . . 0.0 112.366 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -89.11 -20.37 24.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.541 ' O ' ' C ' ' A' ' 85' ' ' TYR . 11.4 mttt -77.2 -45.81 25.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.706 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.5 t80 -26.38 141.46 0.05 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.633 0.73 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.706 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 54.0 Cg_endo -69.78 -10.47 11.54 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.334 -0.053 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.483 ' C ' ' O ' ' A' ' 86' ' ' PRO . . . -30.98 -76.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.477 HG11 ' CD ' ' A' ' 84' ' ' LYS . 2.1 m -98.43 125.14 51.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.472 ' CD2' ' HD2' ' A' ' 90' ' ' PRO . 13.5 mt -42.7 161.37 0.18 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.626 0.727 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.584 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.2 Cg_endo -69.79 -171.23 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.651 2.234 . . . . 0.0 112.33 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -126.35 59.39 1.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.1 mt -66.76 126.96 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.179 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.1 m -120.8 102.3 8.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.8 t -73.41 129.58 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -140.72 128.95 22.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.0 t -149.6 130.99 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 38.6 t -47.51 -36.89 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.7 mp -66.44 -54.71 21.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 97.9 mt -59.15 112.39 1.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.5 m -63.58 152.09 39.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -40.52 -47.21 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.6 p -68.62 -57.14 6.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -46.23 -62.14 1.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -41.0 -55.77 2.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 88.9 m -41.37 -59.38 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.096 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -51.08 -45.92 61.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.1 tt -57.08 -58.54 7.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -45.78 -58.49 3.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.5 m -42.77 -39.82 2.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.54 -55.98 5.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.521 ' HA ' ' CZ3' ' A' ' 131' ' ' TRP . 21.6 tp -38.58 -53.75 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 86.8 m -60.98 -50.0 75.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -47.35 -52.38 16.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.405 ' CD1' ' CD1' ' A' ' 131' ' ' TRP . 8.9 t80 -39.9 -56.58 1.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.7 mt -60.43 -58.23 9.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -39.57 -35.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -78.27 -63.36 1.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -84.59 -66.66 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 77.9 m -79.4 93.91 5.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -135.33 121.02 19.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 73.52 39.44 49.98 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.24 156.79 31.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.451 ' O ' ' CG2' ' A' ' 123' ' ' VAL . 35.7 m -83.18 91.74 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 89.6 m -134.88 83.08 2.0 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 41.4 mm -83.86 -39.28 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.55 -47.48 86.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -42.44 -38.86 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.87 -51.81 43.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.071 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 60.4 p -54.63 -32.26 58.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -75.42 -32.14 60.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.592 ' CZ2' ' CD2' ' A' ' 135' ' ' HIS . 36.1 t90 -80.74 -15.78 55.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 134' ' ' GLU . 54.1 t -81.31 -64.65 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -41.88 -23.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 132' ' ' VAL . 5.7 mm-40 -82.83 -66.51 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.592 ' CD2' ' CZ2' ' A' ' 131' ' ' TRP . 5.4 m-70 -59.51 -50.03 75.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.35 -70.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 59.1 p -41.78 -37.1 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -61.75 -50.54 65.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.484 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -62.94 -44.77 95.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.899 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 96.2 t -43.43 115.32 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.3 m -142.29 145.79 34.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -97.79 145.01 26.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -130.07 124.94 34.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 29.0 p -88.25 157.27 18.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.6 t -90.58 91.18 8.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 65.5 m -57.61 112.01 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.5 t -86.42 124.79 33.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 126.29 127.7 3.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -174.16 0.86 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 78.8 p -165.97 168.9 15.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 6.3 t -105.72 172.33 6.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -46.46 110.07 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 m -85.98 160.66 19.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.1 -55.1 0.54 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.7 m -107.15 142.52 36.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.831 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 t -147.02 170.33 17.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.1 67.07 2.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 9' ' ' GLN . 12.0 pt-20 -70.35 -46.91 63.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 110.891 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.444 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 27.7 tt0 -43.45 -63.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.413 ' HB2' ' CG1' ' A' ' 45' ' ' ILE . . . -40.84 -44.02 2.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -66.08 -45.62 80.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.34 -49.93 2.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -70.71 -61.12 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 15' ' ' ALA . 56.7 tp -45.95 -64.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.96 -59.6 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.089 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -49.43 -53.88 20.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 58.2 mt -49.79 -65.32 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -40.47 -40.74 1.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 tp -68.85 -60.33 2.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.8 mt -38.68 -49.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.55 -47.64 14.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 m -76.24 -40.83 50.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 76.6 mmm -48.1 -36.36 13.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -108.12 76.94 0.64 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.671 0.748 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 26' ' ' GLY . 53.6 Cg_endo -69.8 -40.26 5.47 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 25' ' ' PRO . . . -34.75 151.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -72.78 127.74 33.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.836 0.35 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 62.19 42.96 9.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -95.68 -32.23 12.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -142.58 137.45 30.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.417 ' CD1' ' ND2' ' A' ' 62' ' ' ASN . 5.4 mp -129.57 121.34 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 83.6 t -101.73 94.22 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.43 ' HB2' ' CD2' ' A' ' 58' ' ' TYR . 33.2 m-80 -62.42 -56.72 15.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -74.43 86.67 2.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -76.32 -47.42 23.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.1 tp -50.02 -45.26 51.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -41.7 -40.61 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 41' ' ' LEU . 93.0 t -78.1 -62.22 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -39.96 -42.28 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -76.1 -37.14 58.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' VAL . 53.9 tp -58.22 -39.59 79.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -60.63 -52.62 64.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -49.43 -49.94 42.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.499 ' SG ' ' CE ' ' A' ' 50' ' ' MET . 1.7 t -42.61 -62.17 1.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.429 ' CD1' HD21 ' A' ' 14' ' ' LEU . 17.6 mt -54.39 -43.6 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.92 -35.05 75.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -92.54 10.83 28.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? 42.06 33.92 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.9 t -132.32 116.23 16.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.499 ' CE ' ' SG ' ' A' ' 44' ' ' CYS . 37.8 mmt -76.25 48.69 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -133.37 120.69 21.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 53' ' ' ARG . . . 154.67 -49.76 0.49 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.534 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -34.36 127.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 0.0 110.883 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.8 m -132.04 -40.25 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 m -110.25 148.87 31.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -79.7 152.88 29.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.7 t -75.98 98.06 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.43 ' CD2' ' HB2' ' A' ' 33' ' ' ASN . 13.5 t80 -97.95 120.99 39.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -154.03 119.95 5.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.5 m -99.17 131.47 45.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.0 mt -103.44 129.38 55.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.417 ' ND2' ' CD1' ' A' ' 31' ' ' ILE . 74.2 m-20 -102.05 116.48 32.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.446 ' C ' ' SD ' ' A' ' 74' ' ' MET . 56.5 mtp -118.94 120.56 37.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.453 ' N ' ' SD ' ' A' ' 74' ' ' MET . 1.7 p-10 -91.2 122.34 33.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.58 162.23 38.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -88.48 140.83 29.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.3 m -113.75 -46.34 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 t -171.96 -179.93 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 71' ' ' LYS . 75.9 m-20 43.65 50.57 6.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.827 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' ASP . 12.4 pt-20 34.39 33.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 69' ' ' ASP . 25.0 mtmt -109.34 165.7 11.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 29.5 mtp -127.89 154.83 45.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -148.45 169.81 19.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.453 ' SD ' ' N ' ' A' ' 64' ' ' ASN . 1.4 tpt -110.48 142.5 42.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -114.9 131.46 56.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.3 m -100.22 116.63 32.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 mp -108.81 92.81 4.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.85 93.78 2.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 50.9 t -99.27 136.06 39.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 91.2 mt -132.47 117.24 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.9 mt -92.87 117.86 67.7 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -173.53 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -92.8 -4.74 52.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.552 ' O ' ' C ' ' A' ' 85' ' ' TYR . 19.7 mtmm -91.14 -45.56 8.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.699 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.5 t80 -25.03 142.5 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.689 0.757 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.699 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.76 -10.92 11.73 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.344 -0.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.494 ' C ' ' O ' ' A' ' 86' ' ' PRO . . . -28.98 -76.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.059 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.48 ' CG1' ' CE ' ' A' ' 84' ' ' LYS . 2.9 m -101.31 127.29 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.0 mt -46.13 158.47 0.37 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.638 0.733 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.623 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.74 -169.18 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.646 2.231 . . . . 0.0 112.358 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -132.42 80.04 1.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.4 mt -90.12 140.61 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.9 m -134.63 100.99 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 49.6 t -73.13 124.89 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.152 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -136.06 130.28 33.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.8 t -148.84 119.9 7.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.7 m -42.22 -29.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.145 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.5 mt -61.02 -56.8 16.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.453 ' HA ' ' NE2' ' A' ' 103' ' ' GLN . 8.1 mt -68.91 158.06 35.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.43 ' H ' ' CG ' ' A' ' 103' ' ' GLN . 28.5 p -101.37 150.68 22.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.31 -20.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.6 m -80.2 -68.33 0.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.453 ' NE2' ' HA ' ' A' ' 99' ' ' LEU . 8.3 pt20 -58.56 -45.29 89.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -50.19 -37.07 33.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 79.1 m -54.76 -60.71 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -54.28 -44.42 71.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.8 tt -50.77 -50.73 55.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -51.08 -57.38 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 57.9 m -48.02 -55.23 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.172 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.74 -60.39 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.47 HD23 ' CG2' ' A' ' 132' ' ' VAL . 18.1 tp -39.01 -44.09 1.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 21.2 m -66.34 -53.28 38.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -41.02 -58.38 1.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.081 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.635 ' CG ' ' CD1' ' A' ' 131' ' ' TRP . 21.4 t80 -35.23 -62.95 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 116' ' ' GLN . 7.1 mt -57.93 -57.04 14.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 115' ' ' LEU . 28.0 mt-30 -35.19 -35.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 115' ' ' LEU . 28.3 tttt -96.59 -65.31 0.98 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -51.98 -62.59 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 8.8 m -107.84 103.22 12.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -126.6 87.41 2.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 109.66 39.32 1.62 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -153.02 169.56 22.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.892 0.377 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.461 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 31.5 m -101.93 90.87 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 5.2 m -135.04 103.61 5.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 33.8 mm -95.96 -38.83 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 17.3 mt -57.52 -37.72 73.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -51.73 -39.76 58.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.37 -60.84 2.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.072 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 68.0 p -47.09 -46.16 22.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -60.77 -29.32 69.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.694 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 18.4 t90 -85.35 -19.44 31.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.47 ' CG2' HD23 ' A' ' 111' ' ' LEU . 50.8 t -87.28 -57.3 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 134' ' ' GLU . 8.5 ptt-85 -42.37 -29.91 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.437 ' N ' ' HG3' ' A' ' 133' ' ' ARG . 4.5 tm-20 -88.57 -67.65 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.694 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 13.5 m-70 -47.27 -52.76 15.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.76 -69.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.094 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 51.6 p -39.34 -37.63 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -61.63 -59.12 10.31 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 89.5 m-85 -53.23 -44.07 67.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.377 . . . . 0.0 110.934 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 67.9 t -53.88 118.72 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 5.2 m -151.38 179.68 8.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 56.5 ttt-85 43.83 44.82 5.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -97.46 91.61 5.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 44.5 p -107.15 96.71 6.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 52.9 p -57.9 -52.39 65.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 148' ' ' GLY . 67.5 p -167.3 174.95 7.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.0 t -50.09 90.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 146' ' ' SER . . . -90.82 -86.99 1.39 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 121.11 7.81 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.68 2.254 . . . . 0.0 112.377 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 97.6 p -171.22 162.24 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 78.4 p -103.87 162.39 13.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -116.54 121.02 40.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.864 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.3 m -142.79 156.81 45.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.5 -50.93 0.78 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 t -90.48 -61.35 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.901 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -66.1 150.06 49.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.9 85.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -61.63 -20.46 63.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 0.0 110.911 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -71.66 -51.58 22.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.942 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.86 -29.11 69.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -78.76 -40.7 32.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -46.3 -46.33 17.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -67.38 -69.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.1 tp -40.23 -53.84 2.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -38.74 -54.53 1.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.7 -61.33 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 26.6 mt -41.66 -58.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -46.83 -42.2 16.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.1 tp -70.4 -42.61 71.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.0 mt -54.0 -55.98 22.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.12 -43.98 3.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.4 m -78.23 -36.51 46.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 74.4 mmm -55.64 -33.27 63.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -112.21 77.14 2.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.681 0.753 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -40.61 5.14 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.669 2.246 . . . . 0.0 112.329 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -42.15 164.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -83.03 156.69 23.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 41.25 36.89 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -92.99 -37.62 12.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.425 HD23 ' C ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -143.98 142.5 30.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mp -139.24 123.1 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 49.5 t -102.24 98.87 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -69.63 -48.52 59.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -84.6 98.67 10.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -88.75 -46.55 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 37' ' ' ALA . 2.2 mm? -40.29 -59.46 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LEU . . . -36.9 -45.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.059 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' ALA . 90.5 t -70.43 -66.98 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.15 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' VAL . . . -36.6 -46.96 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.46 -51.01 67.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 27.1 tp -54.33 -50.93 66.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.7 mtpp -56.85 -52.77 63.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -55.7 -43.31 76.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 47' ' ' LYS . 38.4 t -48.7 -64.2 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.4 mt -40.62 -45.16 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -64.55 -38.25 90.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 44' ' ' CYS . 6.2 mtpm? -80.05 -11.01 59.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp 54.39 44.27 29.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.0 t -152.94 112.69 3.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 23.8 mmt -75.93 76.55 2.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -127.17 123.51 36.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.469 ' O ' ' C ' ' A' ' 53' ' ' ARG . . . 118.67 -92.1 0.53 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.507 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 53' ' ' ARG . 0.4 OUTLIER 31.06 46.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 110.911 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.3 m -96.01 38.78 1.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -173.14 124.54 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -78.7 152.46 31.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 42.7 t -78.37 97.25 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -96.99 128.02 43.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.971 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 3.8 p90 -158.34 127.46 5.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.0 m -93.99 141.29 28.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.1 mt -117.57 124.81 73.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.463 ' HB3' ' CE ' ' A' ' 74' ' ' MET . 63.4 m-80 -102.39 121.18 41.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.427 ' CE ' ' HB3' ' A' ' 133' ' ' ARG . 15.9 mtm -121.83 118.18 28.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.434 ' C ' ' HG ' ' A' ' 65' ' ' LEU . 6.8 m-20 -81.68 115.87 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.478 ' CD1' ' HA ' ' A' ' 133' ' ' ARG . 1.0 OUTLIER -146.69 154.05 40.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -69.02 144.98 53.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.432 HG21 ' N ' ' A' ' 68' ' ' SER . 27.5 m -118.2 -52.72 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.506 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 5.9 t -174.89 -174.99 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 68' ' ' SER . 1.4 m-20 34.98 51.23 0.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.424 ' HG2' ' C ' ' A' ' 69' ' ' ASP . 10.9 pt-20 41.51 46.17 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 68' ' ' SER . 1.3 ptmt -144.34 162.81 35.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.2 ptm -124.19 176.22 6.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -146.91 172.04 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.081 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.463 ' CE ' ' HB3' ' A' ' 62' ' ' ASN . 1.5 tpt -99.38 104.71 16.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.486 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 45.0 m-85 -89.83 111.31 22.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 55.3 m -93.77 118.47 31.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.7 mp -107.52 100.85 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.09 93.23 3.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 16.7 m -95.0 137.32 34.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 90.3 mt -140.08 124.9 19.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.183 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.4 mt -95.67 122.82 57.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 0.0 110.915 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -168.39 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.664 2.243 . . . . 0.0 112.35 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -93.98 -24.32 17.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.519 ' O ' ' C ' ' A' ' 85' ' ' TYR . 8.9 mttt -76.66 -37.74 55.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.73 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.6 t80 -28.68 142.14 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.677 0.751 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.73 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 54.1 Cg_endo -69.75 -7.31 9.88 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.377 -0.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.506 ' HB1' ' CB ' ' A' ' 84' ' ' LYS . . . -32.13 -77.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 88' ' ' VAL . 1.9 m -97.2 125.05 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.419 ' CD2' ' HD2' ' A' ' 90' ' ' PRO . 15.2 mt -43.84 160.8 0.22 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.632 0.729 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.566 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.2 Cg_endo -69.76 177.03 5.99 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -117.43 78.62 1.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.465 ' CG2' HD22 ' A' ' 111' ' ' LEU . 59.0 mt -87.98 135.93 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 89.3 m -133.42 103.1 5.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.182 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.9 t -74.85 127.58 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.7 mmt85 -131.22 144.07 51.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.7 t -167.95 140.14 3.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.46 ' CG1' HD22 ' A' ' 98' ' ' LEU . 2.8 p -60.02 -37.7 73.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.46 HD22 ' CG1' ' A' ' 97' ' ' VAL . 11.3 mt -58.38 -57.12 14.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.54 131.05 49.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.0 p -82.64 160.41 22.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -44.88 -47.12 11.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.4 m -67.39 -63.81 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -43.05 -56.92 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -46.05 -47.98 16.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 62.5 m -43.08 -43.39 4.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.131 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.41 ' NE2' ' OD2' ' A' ' 110' ' ' ASP . 25.3 tp60 -68.15 -74.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.462 HD21 ' N ' ' A' ' 108' ' ' ASN . 5.0 tt -39.95 -51.11 2.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.462 ' N ' HD21 ' A' ' 107' ' ' LEU . 2.4 t-20 -49.13 -50.76 35.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 86.1 m -66.54 -49.54 66.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.41 ' OD2' ' NE2' ' A' ' 106' ' ' GLN . 8.6 m-20 -50.01 -52.03 37.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.465 HD22 ' CG2' ' A' ' 92' ' ' ILE . 10.5 tp -41.14 -54.79 2.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 97.8 m -57.36 -55.5 33.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -42.86 -55.92 3.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 113' ' ' ALA . 16.6 t80 -37.02 -54.97 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 117' ' ' LYS . 69.6 mt -60.38 -58.99 6.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.407 ' HG2' ' CD1' ' A' ' 89' ' ' LEU . 11.4 mt-30 -39.39 -27.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 115' ' ' LEU . 0.1 OUTLIER -97.1 -66.67 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -60.69 -66.46 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 2.2 m -114.46 113.18 24.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -146.79 109.79 4.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 113.66 -14.15 22.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.46 166.85 11.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.796 0.331 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 30.5 m -86.5 109.63 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 3.3 m -158.48 106.24 1.91 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 16.5 mm -94.79 -43.09 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 127' ' ' ASN . 12.0 mt -49.38 -57.03 7.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 126' ' ' LEU . 11.9 m120 -34.39 -37.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 126' ' ' LEU . . . -71.61 -53.44 13.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.102 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 69.3 p -60.08 -16.91 35.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -84.32 -20.0 32.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.537 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 13.8 t90 -94.8 -25.89 16.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 42.2 t -81.01 -53.2 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.146 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.478 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 5.4 ppt_? -39.72 -30.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -94.62 -65.44 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.537 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 5.0 m-70 -45.25 -50.76 11.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.486 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -33.67 -70.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 16.3 t -50.46 -37.37 38.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -51.41 -41.73 48.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -74.68 -51.24 14.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.912 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 61.0 t -49.83 117.73 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.2 m -158.65 156.06 29.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -85.45 113.37 21.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -135.44 145.52 47.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 43.6 p -133.58 -58.26 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.2 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 87.7 p -78.36 167.1 21.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.1 t -79.7 111.22 15.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.789 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.6 t -65.35 -59.05 4.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 151.13 -155.88 26.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.54 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 150' ' ' SER . 53.5 Cg_endo -69.72 102.11 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.707 2.271 . . . . 0.0 112.362 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 149' ' ' PRO . 19.7 m -34.53 107.38 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 29.3 t -129.03 134.09 47.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.452 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 p -149.31 174.81 12.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.836 0.351 . . . . 0.0 110.919 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.9 t -77.37 118.47 19.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.1 133.79 11.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.9 m -101.22 43.3 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.361 . . . . 0.0 110.831 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.3 m -93.4 101.21 13.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.816 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.22 72.54 0.45 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.52 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -70.57 -26.76 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.342 . . . . 0.0 110.926 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -63.55 -52.18 62.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.68 -37.32 63.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -73.9 -41.84 61.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -38.92 -52.42 1.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -68.9 -47.69 65.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.454 HD22 ' CD1' ' A' ' 45' ' ' ILE . 37.3 tp -52.36 -63.51 1.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.09 -56.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -52.34 -43.03 64.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' LEU . 60.9 mt -65.83 -66.59 0.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -44.63 -48.71 10.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 tt -55.54 -58.89 5.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 21' ' ' ALA . 29.2 mt -40.67 -55.22 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -37.29 -44.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.083 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t -75.79 -40.71 54.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 77.4 mmm -55.32 -30.29 59.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.548 ' CE2' HG23 ' A' ' 61' ' ' ILE . 8.2 m-85 -108.01 75.41 0.53 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.7 0.762 . . . . 0.0 110.862 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 26' ' ' GLY . 54.0 Cg_endo -69.76 -38.85 7.23 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 25' ' ' PRO . . . -36.86 146.93 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -74.96 124.67 27.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.907 0.384 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 66.72 44.35 2.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -95.35 -58.53 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.411 HD23 ' C ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -113.43 141.1 47.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.1 mp -133.25 124.15 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.7 t -105.88 94.12 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -61.31 -58.21 9.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.68 87.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -79.59 -51.26 9.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.4 tp -49.45 -47.42 48.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.0 -44.63 51.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 80.7 t -69.79 -47.5 69.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.91 -56.11 9.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.091 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -51.76 -47.21 64.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.8 tp -48.75 -34.51 12.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -75.73 -66.06 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -42.64 -36.03 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 78.0 m -64.37 -51.02 65.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.454 ' CD1' HD22 ' A' ' 14' ' ' LEU . 20.4 mt -66.77 -44.41 89.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -60.12 -50.51 73.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -79.64 7.25 8.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? 46.61 38.16 5.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 11.6 t -130.3 121.05 25.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.22 86.09 2.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.55 -43.13 66.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 127.67 102.14 1.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.529 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.588 ' H ' ' NE ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -44.35 151.03 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.341 . . . . 0.0 110.887 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.5 t -114.42 -41.25 3.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.4 m -106.37 144.84 32.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 17.8 mttp -80.87 135.2 35.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.401 ' CG1' HD23 ' A' ' 17' ' ' LEU . 57.8 t -59.35 95.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -101.73 124.01 46.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 10.9 p90 -155.57 121.59 5.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.5 m -91.23 143.25 26.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.548 HG23 ' CE2' ' A' ' 24' ' ' PHE . 62.8 mt -116.71 123.15 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.405 ' HB3' ' CE ' ' A' ' 74' ' ' MET . 75.8 m-20 -97.42 107.51 20.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 19.3 mtm -110.31 122.03 46.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.434 ' HB2' ' CE ' ' A' ' 72' ' ' MET . 17.9 p30 -92.08 109.09 20.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.419 HD13 ' CB ' ' A' ' 133' ' ' ARG . 3.2 mt -129.52 147.52 51.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -76.78 128.72 35.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.456 ' CG2' ' N ' ' A' ' 68' ' ' SER . 22.6 m -106.34 -48.95 8.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.456 ' N ' ' CG2' ' A' ' 67' ' ' VAL . 15.1 p -169.56 172.41 7.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 71' ' ' LYS . 10.4 m-20 46.52 52.68 10.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 38.01 29.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -117.72 174.57 6.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.434 ' CE ' ' HB2' ' A' ' 64' ' ' ASN . 6.6 ptm -147.07 158.47 43.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.445 ' CB ' HD13 ' A' ' 98' ' ' LEU . . . -128.1 162.13 27.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.405 ' CE ' ' HB3' ' A' ' 62' ' ' ASN . 4.1 tpt -92.71 119.14 31.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -97.4 123.66 41.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.6 m -97.52 113.94 25.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.3 mp -108.92 93.88 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.959 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.98 94.98 1.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 12.3 m -93.02 122.79 35.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 96.0 mt -126.25 116.08 44.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.438 HD23 ' CD1' ' A' ' 125' ' ' ILE . 22.1 mt -99.04 117.21 64.6 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.58 0.705 . . . . 0.0 110.935 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -172.26 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.667 2.245 . . . . 0.0 112.371 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -86.48 -28.41 23.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.52 ' O ' ' C ' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -67.59 -45.87 74.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.761 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.1 t80 -27.89 142.48 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.699 0.761 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.761 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.75 -9.36 10.95 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.748 -1.772 . . . . 0.0 112.336 -0.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.471 ' C ' ' O ' ' A' ' 86' ' ' PRO . . . -31.63 -77.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.482 ' CG1' ' HE3' ' A' ' 84' ' ' LYS . 2.3 m -95.72 124.68 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 88' ' ' VAL . 0.7 OUTLIER -39.7 161.29 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.611 0.719 . . . . 0.0 110.885 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.578 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.4 Cg_endo -69.72 -169.64 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -133.26 64.13 1.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 78.3 mt -75.69 138.33 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 99.1 m -134.07 99.77 4.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.4 t -73.43 137.84 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 34.2 mmt-85 -147.45 137.65 23.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 7.8 t -151.5 137.24 17.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.1 m -59.04 -33.72 51.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.09 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.445 HD13 ' CB ' ' A' ' 73' ' ' ALA . 18.4 mt -64.81 -51.15 63.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.8 mt -63.97 173.08 1.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 84.1 p -113.4 174.19 6.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -38.96 91.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.8 m -77.3 -59.43 2.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -48.81 -62.42 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 13.9 tp60 -38.54 -51.26 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 92.1 m -45.79 -64.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.158 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -39.88 -58.41 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.8 tt -41.64 -53.6 3.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -53.32 -54.85 30.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 43.1 m -42.46 -37.81 1.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.527 ' HB3' ' CZ2' ' A' ' 131' ' ' TRP . 0.7 OUTLIER -80.43 -57.25 3.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 110' ' ' ASP . 8.4 tp -36.69 -59.46 0.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.47 HG23 ' NE2' ' A' ' 116' ' ' GLN . 27.6 m -57.05 -61.17 2.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 112' ' ' THR . . . -37.84 -51.07 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.458 ' CG ' ' CD1' ' A' ' 131' ' ' TRP . 27.4 t80 -39.6 -62.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 119' ' ' CYS . 10.3 mt -57.18 -61.91 2.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.47 ' NE2' HG23 ' A' ' 112' ' ' THR . 11.4 mt-30 -36.48 -34.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 115' ' ' LEU . 10.5 tptm -84.33 -64.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -68.73 -58.32 4.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 115' ' ' LEU . 60.7 m -97.38 100.59 12.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -123.9 126.67 46.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 71.21 40.37 61.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -151.37 -177.8 6.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.434 ' O ' ' CG2' ' A' ' 123' ' ' VAL . 32.1 m -118.44 91.96 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 2.6 t -129.04 99.82 5.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.438 ' CD1' HD23 ' A' ' 81' ' ' LEU . 25.0 mm -91.36 -32.9 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 127' ' ' ASN . 12.9 mt -60.89 -60.64 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 126' ' ' LEU . 20.2 t-20 -34.47 -35.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 126' ' ' LEU . . . -66.73 -51.37 56.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.09 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 126' ' ' LEU . 43.6 p -61.92 -32.26 72.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.166 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -75.55 -22.44 57.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.639 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 40.0 t90 -89.38 -17.6 28.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 134' ' ' GLU . 17.8 t -88.21 -63.52 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.419 ' CB ' HD13 ' A' ' 65' ' ' LEU . 6.9 ptm180 -37.08 -29.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 132' ' ' VAL . 23.7 tt0 -88.86 -61.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.639 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 16.3 m-70 -54.23 -53.62 51.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.97 -66.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 136' ' ' ALA . 94.3 p -35.0 -43.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -57.21 -58.51 14.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.449 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -61.93 -52.51 63.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.943 0.401 . . . . 0.0 110.976 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 97.1 t -43.05 113.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.16 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 14.7 m -150.6 111.28 4.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.77 132.22 14.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -133.58 -58.43 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.7 t -46.76 163.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 86.4 p -129.56 114.61 16.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.821 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 19.6 m -122.21 -57.96 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 50.4 m -51.5 113.34 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.795 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 159.68 -96.8 0.15 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 119.37 6.32 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.723 2.282 . . . . 0.0 112.342 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 80.0 p -107.26 134.52 50.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 97.2 p -104.26 106.53 17.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -107.11 106.19 16.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -91.26 162.64 14.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.23 -89.23 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 m -79.78 113.91 18.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.37 . . . . 0.0 110.84 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 m -114.83 44.08 1.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.11 44.86 0.9 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -71.43 -49.16 44.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.736 0.303 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -43.45 -54.27 4.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.07 -44.81 64.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -65.4 -38.1 88.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -49.92 -51.09 43.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -70.73 -39.9 73.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 15' ' ' ALA . 33.9 tp -57.22 -65.21 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.75 -59.9 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.5 ' OE2' ' N ' ' A' ' 124' ' ' CYS . 25.2 tt0 -45.94 -50.51 14.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 54.5 mt -55.89 -69.59 0.14 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -43.28 -42.06 4.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 20' ' ' LEU . 4.8 tt -57.4 -65.62 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 23' ' ' MET . 10.8 mt -36.17 -58.63 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.13 -46.84 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.4 m -68.62 -42.74 77.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 20' ' ' LEU . 93.8 mmm -55.21 -35.52 64.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -109.68 82.6 2.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.655 0.741 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -25.87 27.82 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.69 2.26 . . . . 0.0 112.31 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.28 162.91 0.59 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -86.96 -37.68 17.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.858 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -111.69 33.62 4.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -93.2 -40.91 10.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.422 ' C ' HD21 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -141.86 140.87 33.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.97 117.03 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.453 ' O ' ' NE2' ' A' ' 35' ' ' GLN . 53.1 t -92.23 94.87 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -58.11 -56.1 26.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.18 105.23 9.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 32' ' ' VAL . 9.0 mp0 -94.35 -36.42 11.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.6 tt -61.45 -45.1 95.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.37 -40.73 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.9 t -72.84 -48.36 45.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.29 -48.6 24.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.1 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -60.4 -47.41 86.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.8 tp -52.34 -44.68 65.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -71.45 -63.3 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -41.46 -32.5 0.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.9 m -69.83 -64.45 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.7 mt -51.08 -46.54 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -59.61 -39.8 85.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -85.03 1.32 48.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm 56.98 41.14 28.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.493 ' O ' ' CE ' ' A' ' 50' ' ' MET . 2.4 t -136.99 168.46 19.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.493 ' CE ' ' O ' ' A' ' 49' ' ' THR . 24.8 mmt -133.74 67.53 1.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -45.85 -48.0 15.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 128.71 100.83 1.0 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.4 ' NH2' HG21 ' A' ' 57' ' ' VAL . 1.9 mtp-105 -61.21 112.12 2.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.799 0.333 . . . . 0.0 110.881 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.0 t -98.69 -37.21 9.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.4 m -94.46 118.18 31.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -67.21 147.3 53.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.4 HG21 ' NH2' ' A' ' 53' ' ' ARG . 96.0 t -72.55 98.42 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -98.77 124.23 43.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -155.84 133.81 11.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 41.9 m -103.21 150.63 23.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.9 mt -123.6 122.38 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -94.43 109.71 21.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 54.4 mtp -111.02 112.84 24.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -88.05 111.88 22.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.1 mt -131.88 155.77 47.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -82.17 118.67 23.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.475 ' CG2' ' N ' ' A' ' 68' ' ' SER . 26.7 m -91.78 -51.18 11.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.475 ' N ' ' CG2' ' A' ' 67' ' ' VAL . 40.3 p -174.57 178.64 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 47.81 47.85 17.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 42.88 27.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -119.51 179.18 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.8 ptm -147.25 164.56 32.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -132.63 175.14 9.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.9 ttm -106.59 115.89 30.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.503 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 11.6 m-85 -96.52 114.14 25.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 m -93.45 114.32 26.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.806 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 mp -104.71 96.21 6.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.951 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.98 100.01 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 60.7 m -98.88 137.39 37.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 68.2 mt -138.99 113.71 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.157 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 36.7 mt -92.18 114.66 62.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.619 0.723 . . . . 0.0 110.956 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -172.75 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -88.04 -12.79 43.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.54 ' O ' ' C ' ' A' ' 85' ' ' TYR . 20.5 mmtt -80.01 -51.4 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.663 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.9 t80 -26.3 141.07 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.731 0.777 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.663 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.73 -12.4 12.12 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.384 -0.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 86' ' ' PRO . . . -33.09 -73.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.462 ' CG2' ' HB2' ' A' ' 84' ' ' LYS . 3.2 m -99.48 122.13 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.472 ' CD2' ' HD2' ' A' ' 90' ' ' PRO . 8.3 mt -42.9 161.78 0.18 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.617 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.74 -175.22 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.376 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -128.24 59.92 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.1 mt -66.46 133.91 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 53.5 m -127.02 101.9 6.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.413 ' CG2' ' CD2' ' A' ' 111' ' ' LEU . 13.4 t -78.48 139.8 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -147.54 158.66 44.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 43.0 t -163.42 152.89 14.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 4.7 m -79.45 -7.88 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 39.6 mt -97.58 -43.29 7.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 13.5 mt -72.58 139.2 47.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.4 p -80.05 153.37 28.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -27.95 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 m -79.22 -64.63 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -48.25 -56.53 7.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -44.13 -52.13 7.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 86.3 m -41.23 -49.16 3.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -56.11 -63.03 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.418 ' CD2' ' C ' ' A' ' 107' ' ' LEU . 5.7 tt -41.23 -35.27 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -69.7 -59.95 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 89.2 m -44.28 -31.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 111' ' ' LEU . 83.4 m-20 -88.67 -47.92 7.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.532 HD11 ' CE3' ' A' ' 131' ' ' TRP . 14.2 tp -36.45 -46.29 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 113' ' ' ALA . 5.3 m -68.24 -59.87 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 112' ' ' THR . . . -34.02 -46.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . 0.667 ' CG ' ' CD1' ' A' ' 131' ' ' TRP . 30.8 t80 -51.76 -64.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 119' ' ' CYS . 13.6 mt -64.02 -24.77 67.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.469 ' HB2' ' CD1' ' A' ' 89' ' ' LEU . 0.4 OUTLIER -80.46 -23.79 39.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 113' ' ' ALA . 22.1 tptt -68.58 -56.38 8.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -103.27 -53.6 2.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' CYS . . . . . 0.462 ' C ' ' O ' ' A' ' 115' ' ' LEU . 13.3 m -75.61 52.48 0.65 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -76.0 93.65 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 98.86 -55.23 1.0 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.485 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -39.45 148.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.898 0.38 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 19.5 m -80.72 111.79 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' CYS . . . . . 0.5 ' N ' ' OE2' ' A' ' 16' ' ' GLU . 16.8 m -161.91 105.77 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.412 HG12 ' CD ' ' A' ' 16' ' ' GLU . 24.5 mm -96.25 -30.71 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 128' ' ' ALA . 13.0 mt -59.82 -57.39 13.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.96 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.424 ' C ' HD21 ' A' ' 115' ' ' LEU . 5.4 m120 -36.53 -29.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 126' ' ' LEU . . . -71.22 -57.29 4.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 67.2 p -55.22 -55.97 25.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -52.58 -23.66 6.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.735 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 4.6 t90 -88.34 -20.59 25.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 20.9 t -85.86 -51.98 12.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.145 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -50.3 -28.49 7.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -87.82 -50.38 6.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' HIS . . . . . 0.735 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 22.6 m-70 -67.68 -58.84 3.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.503 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -34.11 -63.96 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.058 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 136' ' ' ALA . 26.4 p -37.13 -44.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.62 -50.74 64.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -61.5 -44.15 97.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.961 0.41 . . . . 0.0 110.941 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.407 ' CG1' ' HB ' ' A' ' 67' ' ' VAL . 61.4 t -39.33 107.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.106 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 9.5 t -105.81 149.01 26.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 21.5 ttt-85 -106.45 148.76 27.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -160.66 130.45 5.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 76.2 p -92.79 134.04 35.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.4 t -97.96 95.52 7.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 19.9 m -66.65 132.81 48.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.4 m -121.1 127.26 51.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -76.97 -116.73 0.15 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.433 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 169.62 18.47 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.377 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 5.6 m -103.42 147.79 26.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 32.9 t -68.88 151.3 46.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.516 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.857 0.361 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -52.31 -51.3 59.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.2 -38.38 76.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -74.6 -29.83 61.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.21 -36.87 83.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.446 ' HB2' HD21 ' A' ' 41' ' ' LEU . 53.6 mt-30 -79.49 -60.1 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.1 tp -45.13 -53.59 7.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -39.99 -58.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 19' ' ' LEU . 12.1 tt0 -52.78 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.2 mt -38.73 -53.11 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -53.39 -39.54 64.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 16' ' ' GLU . 13.0 tp -69.34 -57.35 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' ALA . 25.5 mt -40.49 -57.46 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -35.75 -41.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t -75.41 -45.03 41.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' LEU . 97.3 mmm -50.95 -25.83 5.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.729 . . . . 0.0 110.88 -179.918 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.802 0.334 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -106.52 -41.67 5.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.587 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -142.64 131.72 23.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.408 HD12 ' C ' ' A' ' 30' ' ' LEU . 4.6 mp -133.19 129.82 57.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.0 p -108.26 121.4 61.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.47 -39.87 18.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -95.32 79.03 3.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.1 tp60 -75.41 -38.57 59.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.1 tp -48.68 -43.32 36.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.32 -54.25 11.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.9 t -56.03 -51.47 61.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.42 -44.6 24.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.077 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -65.4 -34.63 78.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.446 HD21 ' HB2' ' A' ' 13' ' ' GLN . 10.4 tp -71.41 -25.86 62.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -83.6 -36.52 23.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -76.54 -43.26 39.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.836 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 9.9 p -49.57 -39.42 34.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.5 mt -65.98 -50.45 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.911 0.386 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -81.13 145.09 31.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -69.48 97.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -101.21 126.53 47.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 43.9 p90 -154.55 132.35 11.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.6 m -97.44 148.79 22.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.5 mt -123.53 116.69 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -93.07 115.71 28.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 34.5 mtp -118.08 123.72 46.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.548 ' HB3' ' HE1' ' A' ' 74' ' ' MET . 34.8 p-10 -87.01 113.97 23.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.702 HD13 ' HA ' ' A' ' 133' ' ' ARG . 0.3 OUTLIER -142.36 161.94 36.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -93.97 147.14 23.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.605 HG23 ' N ' ' A' ' 68' ' ' SER . 27.1 m -116.57 -51.76 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.605 ' N ' HG23 ' A' ' 67' ' ' VAL . 3.1 m -166.53 -179.44 4.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 45.11 41.23 5.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 41.6 35.68 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -113.0 164.25 13.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.451 ' HE2' ' HB2' ' A' ' 64' ' ' ASN . 18.3 mtp -122.56 159.3 28.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.675 ' CB ' HD21 ' A' ' 98' ' ' LEU . . . -154.91 159.49 40.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.548 ' HE1' ' HB3' ' A' ' 64' ' ' ASN . 2.2 tpt -91.84 141.17 28.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.801 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 9.3 m-85 -120.58 109.97 15.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.1 m -85.92 122.68 30.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.812 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.617 ' HG ' HG22 ' A' ' 94' ' ' VAL . 5.8 mp -114.89 93.5 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.25 93.36 1.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 30.4 m -92.94 133.56 35.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.8 mt -127.99 123.39 60.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.8 mt -97.51 111.7 59.23 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.578 0.704 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -179.49 2.98 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.331 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -90.63 27.35 1.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.848 ' HB2' HG22 ' A' ' 88' ' ' VAL . 4.2 mttm -125.12 -43.05 1.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.669 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.8 t80 -31.24 140.73 0.15 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.669 0.747 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.669 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.8 -8.66 10.7 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.381 -0.031 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.486 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -31.91 -73.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.848 HG22 ' HB2' ' A' ' 84' ' ' LYS . 10.4 m -109.13 130.75 61.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 43.5 mt -51.06 153.63 3.06 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.594 0.712 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.616 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.2 Cg_endo -69.74 176.8 6.28 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.711 2.274 . . . . 0.0 112.287 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -107.31 55.37 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.0 mt -59.85 118.15 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 89.8 m -120.18 103.06 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.617 HG22 ' HG ' ' A' ' 77' ' ' LEU . 11.0 t -76.81 135.32 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -142.48 141.91 32.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 98' ' ' LEU . 6.4 t -166.59 121.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.7 HG23 HD12 ' A' ' 98' ' ' LEU . 35.7 m -39.5 -29.27 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.104 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.7 HD12 HG23 ' A' ' 97' ' ' VAL . 8.8 mp -60.77 -55.85 28.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.437 HD13 HD13 ' A' ' 107' ' ' LEU . 13.0 mt -71.27 137.57 48.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 89.9 p -86.16 177.65 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -57.74 -48.63 79.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.8 m -61.47 -64.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 104' ' ' GLN . 33.0 mm-40 -49.74 -67.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 103' ' ' GLN . 16.0 tp60 -34.47 -49.97 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 52.1 m -50.9 -64.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -51.01 -46.86 61.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.437 HD13 HD13 ' A' ' 99' ' ' LEU . 9.2 tt -49.8 -61.51 2.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -49.84 -60.58 2.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 94.8 m -39.39 -36.83 0.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 111' ' ' LEU . 0.7 OUTLIER -76.79 -57.02 4.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.744 HD11 ' HB1' ' A' ' 128' ' ' ALA . 15.4 tp -37.48 -42.66 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.9 m -65.93 -51.84 55.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -49.1 -50.32 37.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 113' ' ' ALA . 14.0 t80 -36.04 -59.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 116' ' ' GLN . 12.1 mt -61.89 -57.58 11.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 115' ' ' LEU . 79.2 mt-30 -34.82 -34.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 115' ' ' LEU . 0.1 OUTLIER -93.54 -64.64 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -63.42 -65.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 60.4 m -97.88 105.56 17.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -134.92 111.13 9.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 85.63 36.13 10.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -151.89 166.83 30.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.572 ' O ' HG23 ' A' ' 123' ' ' VAL . 17.0 m -96.98 86.89 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 83.0 m -132.86 92.49 3.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.3 mm -89.31 -22.95 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 128' ' ' ALA . 56.7 mt -73.16 -51.51 17.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 126' ' ' LEU . 5.9 m120 -36.69 -29.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.744 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -77.31 -61.94 1.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.073 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 72.1 p -43.03 -32.39 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -74.72 -37.93 62.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.436 ' CE3' ' O ' ' A' ' 131' ' ' TRP . 38.7 t90 -72.96 -20.09 61.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 134' ' ' GLU . 39.4 t -80.95 -67.33 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.702 ' HA ' HD13 ' A' ' 65' ' ' LEU . 14.3 ptm180 -36.48 -31.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 132' ' ' VAL . 9.5 mt-10 -79.6 -61.43 2.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.453 ' O ' ' C ' ' A' ' 136' ' ' ALA . 14.7 m80 -64.97 -55.07 21.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.801 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -33.93 -68.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 14.9 m -40.65 -41.78 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -65.41 -50.37 55.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.47 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -51.43 -48.54 62.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.904 0.383 . . . . 0.0 110.893 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.129 179.915 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.867 0.365 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -40.82 -48.28 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.06 -40.19 30.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.072 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' ALA . 34.1 mt-10 -66.59 -51.52 55.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.507 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -35.3 -65.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -47.8 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.505 HD11 ' HE2' ' A' ' 42' ' ' LYS . 31.5 tp -40.89 -51.77 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -34.77 -67.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -47.78 -61.42 1.96 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.727 ' HA ' HD12 ' A' ' 20' ' ' LEU . 76.7 mt -41.34 -46.42 3.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -57.82 -43.95 86.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.1 tp -66.02 -46.1 79.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' A' ' 17' ' ' LEU . 9.0 mt -55.6 -63.34 1.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -36.52 -47.37 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -66.74 -44.29 81.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 62.4 mmm -55.21 -41.21 71.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.624 0.726 . . . . 0.0 110.871 -179.927 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.783 0.325 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -91.37 -64.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.518 HD21 HG23 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -134.48 139.32 45.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.1 mp -131.86 121.63 47.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.546 HG22 ' HB2' ' A' ' 59' ' ' PHE . 55.3 t -102.12 94.53 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -61.07 -52.85 63.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.514 ' O ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -75.03 133.47 41.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -123.96 -34.12 3.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -56.32 -63.52 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -38.05 -54.46 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.87 -56.01 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.95 -40.59 22.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -69.03 -43.81 73.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.0 tp -56.33 -52.43 64.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.505 ' HE2' HD11 ' A' ' 14' ' ' LEU . 11.0 mttm -58.43 -47.1 85.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -60.17 -39.88 87.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 78.0 m -54.21 -49.94 68.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.5 mt -56.93 -51.01 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.921 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.949 0.404 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.444 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 3.9 mtmp? -77.63 145.17 36.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.7 t -65.34 106.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -100.77 126.12 47.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.546 ' HB2' HG22 ' A' ' 32' ' ' VAL . 18.9 p90 -157.93 128.21 6.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 74.9 m -95.87 151.33 19.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.454 HG12 HD12 ' A' ' 30' ' ' LEU . 22.7 mt -124.5 116.66 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -92.83 125.66 37.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 41.5 mtp -131.63 114.18 14.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -84.02 123.99 30.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.552 HD13 ' HA ' ' A' ' 133' ' ' ARG . 1.4 mt -143.74 148.01 35.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -75.34 134.67 40.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.623 HG23 ' N ' ' A' ' 68' ' ' SER . 34.4 m -107.31 -51.44 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.623 ' N ' HG23 ' A' ' 67' ' ' VAL . 2.4 m -174.52 177.23 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.0 t0 49.96 36.38 11.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 52.58 29.5 7.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -119.52 175.69 5.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.7 ptm -144.92 168.03 21.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.614 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -142.66 169.7 17.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.8 ttm -98.56 134.34 41.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -114.77 112.55 22.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 66.0 m -90.69 113.05 25.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.46 ' HG ' HG22 ' A' ' 94' ' ' VAL . 5.4 mp -103.56 95.97 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.664 ' HB3' ' HB ' ' A' ' 93' ' ' THR . . . -72.07 93.27 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 31.0 m -93.43 137.64 32.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.444 ' CG2' ' HB3' ' A' ' 56' ' ' LYS . 56.8 mt -139.46 123.41 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.413 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 59.4 mt -90.95 113.92 59.73 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.588 0.709 . . . . 0.0 110.972 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.8 178.29 4.74 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.391 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -90.88 26.92 1.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.859 ' HB2' HG22 ' A' ' 88' ' ' VAL . 4.9 mttt -126.74 -41.74 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.666 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 3.1 t80 -33.21 140.76 0.22 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.68 0.752 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.666 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.78 -9.37 11.01 Favored 'Cis proline' 0 C--N 1.342 0.221 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.335 -0.058 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.482 ' HB3' ' C ' ' A' ' 84' ' ' LYS . . . -31.09 -70.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.859 HG22 ' HB2' ' A' ' 84' ' ' LYS . 8.2 m -112.41 128.87 68.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.2 mp -42.91 158.24 0.23 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.633 0.73 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.596 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.85 -166.82 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -131.98 73.93 1.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.1 mt -80.96 136.13 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.664 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 95.2 m -124.61 113.52 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.191 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.46 HG22 ' HG ' ' A' ' 77' ' ' LEU . 21.9 t -91.09 119.44 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -130.71 143.46 50.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.6 t -159.46 140.55 12.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.542 HG13 HD23 ' A' ' 98' ' ' LEU . 9.8 p -58.29 -30.25 39.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.614 HD11 ' CB ' ' A' ' 73' ' ' ALA . 13.0 mt -69.39 -55.32 10.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.423 ' CD1' ' OE1' ' A' ' 104' ' ' GLN . 8.0 mt -70.18 150.27 46.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.453 ' H ' ' CG ' ' A' ' 103' ' ' GLN . 3.4 m -104.72 160.84 14.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -49.26 -33.06 11.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 t -66.14 -69.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.453 ' CG ' ' H ' ' A' ' 100' ' ' SER . 0.8 OUTLIER -58.88 -52.15 66.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.952 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.423 ' OE1' ' CD1' ' A' ' 99' ' ' LEU . 28.3 tp60 -43.69 -45.07 6.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 51.3 m -58.23 -46.0 86.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.9 tp60 -61.6 -43.82 98.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.503 HD12 ' CD2' ' A' ' 139' ' ' TYR . 9.0 tt -58.81 -53.5 57.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -50.71 -59.62 3.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 58.4 m -43.61 -35.37 1.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.47 -50.12 14.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.706 HD11 ' HB1' ' A' ' 128' ' ' ALA . 27.3 tp -45.93 -47.43 16.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.0 m -66.19 -45.89 79.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.26 -49.74 68.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.134 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.52 ' CG ' ' CD1' ' A' ' 131' ' ' TRP . 3.9 t80 -41.21 -53.53 3.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.8 mt -66.02 -47.52 74.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -46.58 -21.63 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -95.74 -64.71 1.03 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -75.62 -66.55 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 62.7 m -83.56 94.42 8.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -136.88 130.88 32.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 70.7 35.62 66.86 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -154.89 -178.26 7.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 123' ' ' VAL . 35.3 m -111.51 104.4 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 7.5 m -152.69 104.99 2.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 28.7 mm -93.75 -55.07 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mt -42.91 -44.95 4.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -39.33 -38.78 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.706 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -70.3 -44.62 67.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 64.8 p -59.49 -36.0 75.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -75.9 -17.24 59.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.601 ' CE3' ' O ' ' A' ' 131' ' ' TRP . 11.8 t90 -94.13 -18.2 22.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.506 HG23 HD13 ' A' ' 111' ' ' LEU . 41.6 t -86.62 -57.38 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.552 ' HA ' HD13 ' A' ' 65' ' ' LEU . 15.2 ptm180 -43.3 -29.79 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -85.95 -67.82 0.78 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.544 ' ND1' ' CE2' ' A' ' 131' ' ' TRP . 15.6 m80 -51.55 -53.12 41.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.65 -69.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.057 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 136' ' ' ALA . 74.5 p -36.02 -43.03 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -59.73 -48.74 84.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.503 ' CD2' HD12 ' A' ' 107' ' ' LEU . 82.1 m-85 -62.96 -52.5 62.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.942 0.401 . . . . 0.0 110.939 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.476 HG11 ' HB ' ' A' ' 67' ' ' VAL . 78.9 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.161 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -47.03 -42.99 19.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.16 -42.69 86.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' ALA . 39.1 mt-10 -64.39 -54.54 31.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.655 ' O ' HG11 ' A' ' 123' ' ' VAL . . . -37.65 -39.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -74.35 -63.94 1.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.594 ' HA ' HD12 ' A' ' 17' ' ' LEU . 36.3 tp -45.92 -56.2 5.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.87 -53.61 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -60.25 -61.83 2.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 14' ' ' LEU . 13.5 mt -42.75 -54.0 4.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -51.43 -42.44 61.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.5 tp -66.54 -50.82 61.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 23' ' ' MET . 43.7 mt -50.8 -61.2 2.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -37.03 -42.11 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.1 m -79.92 -39.39 30.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 20' ' ' LEU . 73.7 mmm -50.38 -45.0 55.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.492 ' CB ' ' CD ' ' A' ' 29' ' ' GLU . 55.0 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.665 0.745 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.855 0.36 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.492 ' CD ' ' CB ' ' A' ' 24' ' ' PHE . 2.4 pp20? -117.22 -38.74 3.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.578 ' O ' HD23 ' A' ' 30' ' ' LEU . 1.6 tt -144.0 123.58 13.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mp -123.68 118.12 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.792 HG22 ' HB3' ' A' ' 59' ' ' PHE . 43.2 t -98.03 98.22 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -66.51 -44.97 81.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -78.32 98.56 5.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 32' ' ' VAL . 8.9 mp0 -88.78 -36.65 15.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 tp -59.04 -40.51 85.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.95 69.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.058 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -82.19 -54.06 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.84 -43.88 39.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -68.18 -42.86 79.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.8 tp -56.36 -45.7 80.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -57.07 -51.06 70.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -58.32 -56.62 19.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.3 m -38.51 -49.11 1.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 80.6 mt -59.36 -57.76 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.94 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.997 0.427 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 mttp -79.7 136.49 36.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.2 t -70.03 101.63 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.529 ' HE1' ' HB1' ' A' ' 78' ' ' ALA . 18.6 t80 -106.9 119.04 38.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.792 ' HB3' HG22 ' A' ' 32' ' ' VAL . 21.0 p90 -149.45 130.16 14.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 96.9 m -97.69 148.5 23.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.421 HG22 ' HG3' ' A' ' 63' ' ' MET . 62.8 mt -122.99 120.22 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -92.53 110.39 21.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.421 ' HG3' HG22 ' A' ' 61' ' ' ILE . 39.2 mtp -117.44 115.24 24.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.445 ' N ' ' SD ' ' A' ' 74' ' ' MET . 25.1 p30 -86.7 115.07 23.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.447 ' CD1' ' HA ' ' A' ' 133' ' ' ARG . 0.4 OUTLIER -140.78 162.15 36.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -82.26 145.59 29.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.63 ' HB ' HG11 ' A' ' 140' ' ' VAL . 3.7 m -126.87 -47.91 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -166.0 179.22 5.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.828 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 70' ' ' GLU . 19.3 m-20 45.45 43.01 8.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 69' ' ' ASP . 13.5 tt0 37.06 36.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -117.4 170.45 8.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.8 mtp -121.08 158.43 27.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.917 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -154.53 159.3 40.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.445 ' SD ' ' N ' ' A' ' 64' ' ' ASN . 1.6 tpt -96.95 151.22 19.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -126.91 131.66 51.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -96.31 112.23 24.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.838 ' HG ' HG22 ' A' ' 94' ' ' VAL . 5.2 mp -106.6 92.71 4.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.529 ' HB1' ' HE1' ' A' ' 58' ' ' TYR . . . -75.5 95.67 3.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 44.3 t -97.55 115.68 28.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 85.4 mt -113.29 125.7 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.516 HD11 HD21 ' A' ' 17' ' ' LEU . 35.6 mt -94.57 118.87 66.87 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.648 0.737 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -170.56 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.322 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -99.12 24.86 7.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.614 ' HB2' HG22 ' A' ' 88' ' ' VAL . 6.9 mttp -124.28 -38.6 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.678 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 3.0 t80 -33.88 140.89 0.24 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.686 0.755 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.678 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.79 -10.23 11.45 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 -1.804 . . . . 0.0 112.331 -0.03 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.488 ' C ' ' O ' ' A' ' 86' ' ' PRO . . . -30.56 -72.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.614 HG22 ' HB2' ' A' ' 84' ' ' LYS . 2.9 m -109.0 127.58 65.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 29.2 mt -46.38 158.04 0.41 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.605 0.717 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.612 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.2 Cg_endo -69.81 -173.02 0.65 Allowed 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.725 2.283 . . . . 0.0 112.311 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -125.48 62.81 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 43.2 mt -68.51 135.02 29.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.8 m -125.95 98.94 5.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.838 HG22 ' HG ' ' A' ' 77' ' ' LEU . 75.8 t -76.13 133.75 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -145.02 158.02 43.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.1 t -169.34 121.46 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.6 t -41.79 -37.57 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.917 HD11 ' CB ' ' A' ' 73' ' ' ALA . 4.7 mt -56.02 -56.58 19.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.6 mt -58.83 178.52 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 102' ' ' SER . 49.2 m -122.83 140.12 53.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 100' ' ' SER . 15.0 tpt180 -35.95 -30.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 100' ' ' SER . 4.1 m -82.48 -56.19 4.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -52.11 -58.11 7.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.457 ' OE1' ' ND2' ' A' ' 108' ' ' ASN . 4.5 tp-100 -44.87 -49.32 10.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 57.7 m -41.01 -39.9 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -72.7 -42.06 64.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.517 HD22 ' HB ' ' A' ' 94' ' ' VAL . 10.3 tt -54.64 -54.21 44.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.457 ' ND2' ' OE1' ' A' ' 104' ' ' GLN . 16.0 m-80 -53.73 -60.92 2.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 85.5 m -38.59 -35.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 111' ' ' LEU . 1.8 m-20 -82.69 -54.17 5.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.747 HD13 ' CG2' ' A' ' 132' ' ' VAL . 12.6 tp -35.56 -62.44 0.4 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 113' ' ' ALA . 26.3 m -53.89 -58.4 7.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -37.13 -57.23 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.151 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 113' ' ' ALA . 5.7 t80 -36.96 -52.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.1 mt -66.05 -51.95 53.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -49.07 -19.94 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -87.42 -65.0 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -86.39 -66.62 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.821 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.45 ' SG ' ' CB ' ' A' ' 124' ' ' CYS . 98.2 m -76.43 90.23 3.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -133.27 105.76 7.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 96.81 -0.42 60.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.535 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -121.38 158.59 27.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.655 HG11 ' O ' ' A' ' 12' ' ' ALA . 3.5 m -82.22 95.12 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' CYS . . . . . 0.45 ' CB ' ' SG ' ' A' ' 119' ' ' CYS . 88.2 m -134.33 87.95 2.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 125' ' ' ILE . 18.6 mm -88.05 -39.92 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.27 -47.48 85.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -39.94 -32.34 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.415 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -75.08 -58.86 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 77.6 p -52.27 -21.38 3.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -88.11 -33.27 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.677 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 5.2 t90 -82.88 -18.25 40.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.747 ' CG2' HD13 ' A' ' 111' ' ' LEU . 19.5 t -87.04 -49.85 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.447 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 15.1 ptp180 -45.49 -25.89 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -95.19 -67.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.677 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 6.1 m-70 -44.24 -45.25 8.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.825 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -42.32 -66.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.05 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 19.8 t -53.77 -17.13 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -75.2 -25.09 69.48 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -94.77 -18.51 21.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.949 0.404 . . . . 0.0 110.965 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.63 HG11 ' HB ' ' A' ' 67' ' ' VAL . 5.4 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.769 0.319 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 11' ' ' GLU . 1.1 tp-100 -51.73 -55.64 18.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' GLN . . . -34.95 -33.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 9' ' ' GLN . 41.1 mt-10 -75.91 -50.5 14.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.53 ' O ' HG11 ' A' ' 123' ' ' VAL . . . -35.23 -44.81 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -71.81 -46.61 57.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.694 HD11 ' HD2' ' A' ' 42' ' ' LYS . 58.6 tp -59.16 -57.05 14.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.84 -55.32 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -60.42 -60.53 3.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.0 mt -42.33 -51.57 4.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -52.86 -41.89 64.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.4 tp -68.85 -56.96 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.0 mt -41.76 -57.15 2.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.25 -41.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -78.49 -45.89 20.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 73.3 mmm -44.93 -39.1 5.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 110.891 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 . . . . . 0 C--O 1.229 0.026 0 CA-C-O 120.816 0.341 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -89.67 -57.46 2.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.504 HD23 ' C ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -116.16 145.63 42.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.95 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mp -141.38 118.8 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.455 HG22 ' HB3' ' A' ' 59' ' ' PHE . 52.9 t -93.91 96.38 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -55.94 -52.35 64.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -86.32 86.59 7.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -66.81 -48.93 67.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 37' ' ' ALA . 9.8 tp -52.57 -46.72 67.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' LEU . . . -37.29 -43.89 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.054 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.794 HG12 ' HE2' ' A' ' 42' ' ' LYS . 99.5 t -76.08 -58.05 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.81 -46.37 3.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.6 -37.27 85.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.457 ' CD2' ' HB2' ' A' ' 14' ' ' LEU . 15.0 tp -55.55 -37.25 67.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.794 ' HE2' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -73.52 -54.3 8.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.856 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -46.85 -39.42 11.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.7 m -61.89 -52.99 61.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.0 mt -62.6 -50.23 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 179.922 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.5 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.938 0.399 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.403 ' HB3' HG23 ' A' ' 80' ' ' ILE . 1.5 mtmp? -50.74 154.85 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.8 t -83.18 103.54 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.425 ' HE1' ' HB1' ' A' ' 78' ' ' ALA . 16.8 t80 -112.6 113.5 25.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.606 ' CE2' ' SG ' ' A' ' 79' ' ' CYS . 9.9 p90 -133.71 126.45 30.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.6 m -89.28 137.1 32.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.0 mt -117.36 125.13 73.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -97.57 114.29 26.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.6 mtm -118.26 108.63 15.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -80.02 129.53 34.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.64 153.74 40.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -86.28 119.67 26.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.607 HG23 ' N ' ' A' ' 68' ' ' SER . 33.8 m -90.87 -50.49 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.607 ' N ' HG23 ' A' ' 67' ' ' VAL . 2.2 m -173.75 175.97 2.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 71' ' ' LYS . 49.7 m-20 47.06 53.34 10.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' ASP . 4.2 mm-40 38.23 27.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -116.76 173.84 6.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.5 ptm -145.45 -177.82 5.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.523 ' HB2' HD11 ' A' ' 98' ' ' LEU . . . -148.96 177.68 9.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.2 ttm -116.26 108.19 15.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -91.91 135.71 33.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 56.2 m -112.5 105.58 13.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.897 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.469 HD22 HG22 ' A' ' 129' ' ' THR . 7.8 mp -90.37 92.75 9.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.425 ' HB1' ' HE1' ' A' ' 58' ' ' TYR . . . -75.74 100.9 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.606 ' SG ' ' CE2' ' A' ' 59' ' ' PHE . 15.0 p -103.18 149.13 24.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.403 HG23 ' HB3' ' A' ' 56' ' ' LYS . 70.3 mt -140.51 110.89 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.432 HD23 ' HB3' ' A' ' 90' ' ' PRO . 61.4 mt -80.03 112.38 29.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.408 ' HG3' HG23 ' A' ' 88' ' ' VAL . 53.7 Cg_endo -69.75 -178.91 2.56 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.761 2.308 . . . . 0.0 112.339 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -90.27 27.04 1.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.722 ' HB2' HG22 ' A' ' 88' ' ' VAL . 1.1 mtpp -127.54 -42.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.698 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 3.2 t80 -28.27 141.34 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.68 0.752 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.698 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.6 Cg_endo -69.81 -7.94 10.32 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.325 -0.007 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.532 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -30.32 -72.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.722 HG22 ' HB2' ' A' ' 84' ' ' LYS . 15.6 m -110.45 128.77 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.463 HD13 ' HB2' ' A' ' 115' ' ' LEU . 57.0 mt -48.04 156.06 0.79 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.719 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.608 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.74 -179.85 3.19 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.257 . . . . 0.0 112.363 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -111.31 66.02 0.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.8 mt -70.95 125.79 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 89.4 m -123.18 103.73 8.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.41 HG22 ' HG ' ' A' ' 77' ' ' LEU . 37.5 t -76.82 131.94 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -134.38 143.04 47.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.4 t -164.66 127.31 2.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.529 HG23 HD23 ' A' ' 98' ' ' LEU . 33.3 m -52.5 -23.79 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.529 HD23 HG23 ' A' ' 97' ' ' VAL . 13.6 mt -73.83 -51.41 16.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.637 HD11 HD13 ' A' ' 107' ' ' LEU . 76.8 mt -63.71 135.15 56.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.6 t -82.32 171.98 13.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.9 mtp85 -55.43 -41.36 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.8 m -74.91 -64.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -42.0 -59.29 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -40.39 -52.65 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 90.1 m -47.65 -58.04 4.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -52.38 -45.34 65.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.637 HD13 HD11 ' A' ' 99' ' ' LEU . 9.9 tt -54.27 -58.57 6.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -55.16 -60.49 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 75.4 m -40.44 -42.38 1.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.82 -55.42 11.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.573 HD11 ' HB1' ' A' ' 128' ' ' ALA . 13.7 tp -42.5 -55.52 3.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 75.7 m -56.27 -44.36 79.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -55.12 -49.4 71.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -38.89 -63.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.503 HD11 ' HB2' ' A' ' 128' ' ' ALA . 10.3 mt -58.13 -57.41 12.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 115' ' ' LEU . 33.6 mm-40 -34.79 -36.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.942 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 115' ' ' LEU . 6.7 ttmm -96.19 -65.14 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -51.82 -62.19 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.826 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.8 m -119.23 111.98 18.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -132.16 96.99 4.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 112.13 35.21 1.84 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.535 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -157.89 171.96 19.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 123' ' ' VAL . 34.0 m -99.89 94.4 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' CYS . . . . . 0.429 ' HB3' ' CG ' ' A' ' 127' ' ' ASN . 64.0 m -134.79 56.58 1.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 90' ' ' PRO . 31.3 mm -57.73 -43.34 83.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.6 mt -52.8 -40.02 62.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.429 ' CG ' ' HB3' ' A' ' 124' ' ' CYS . 2.1 m-20 -55.63 -35.19 65.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.573 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -67.64 -52.22 40.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.469 HG22 HD22 ' A' ' 77' ' ' LEU . 69.0 p -58.81 -33.61 70.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.156 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -69.48 -17.68 63.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.661 ' CZ2' ' CE1' ' A' ' 135' ' ' HIS . 12.4 t90 -90.66 -26.05 19.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.482 ' CG2' HD22 ' A' ' 111' ' ' LEU . 70.9 t -84.97 -51.91 13.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 134' ' ' GLU . 22.3 ptt180 -38.5 -32.12 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.439 ' N ' ' HG3' ' A' ' 133' ' ' ARG . 49.5 tp10 -94.37 -67.58 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.661 ' CE1' ' CZ2' ' A' ' 131' ' ' TRP . 18.1 m-70 -43.51 -50.72 7.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -34.13 -69.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.3 m -43.97 -37.1 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -58.07 -54.6 36.23 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.405 ' CD2' HD12 ' A' ' 107' ' ' LEU . 92.3 m-85 -59.25 -48.38 81.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.932 0.396 . . . . 0.0 110.946 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.504 HG11 ' HB ' ' A' ' 67' ' ' VAL . 60.4 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.769 0.319 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -71.95 -41.58 67.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.84 75.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -75.13 -42.72 55.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.49 -44.3 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -71.84 -57.73 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 15' ' ' ALA . 46.8 tp -44.59 -51.19 9.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.26 -58.99 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.433 ' OE1' HD23 ' A' ' 19' ' ' LEU . 6.6 tp10 -57.43 -64.71 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.64 HD21 HG11 ' A' ' 57' ' ' VAL . 83.9 mt -37.56 -40.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -65.25 -48.18 74.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.433 HD23 ' OE1' ' A' ' 16' ' ' GLU . 9.9 tp -60.19 -54.78 41.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' MET . 66.5 mt -47.93 -64.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.05 -44.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.11 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.1 m -71.02 -45.72 63.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 20' ' ' LEU . 83.8 mmm -56.68 -37.68 71.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.482 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.5 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.644 0.735 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.774 0.321 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -95.48 -59.03 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.477 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -139.62 135.94 33.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.412 HD13 ' ND2' ' A' ' 62' ' ' ASN . 5.2 mp -135.09 132.67 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.4 p -111.45 126.42 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -86.84 -42.15 13.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -96.32 86.82 4.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -72.22 -40.1 68.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mt -46.1 -52.45 12.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.549 ' HB1' HG22 ' A' ' 57' ' ' VAL . . . -37.67 -46.24 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 88.0 t -67.22 -56.16 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.65 -58.66 6.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -52.66 -40.73 63.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.4 tp -62.87 -41.92 99.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -64.07 -57.29 10.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -45.12 -42.31 8.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.4 t -55.32 -44.18 75.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.7 mt -76.64 -51.14 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.6 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.928 0.394 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -63.0 139.93 58.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.64 HG11 HD21 ' A' ' 17' ' ' LEU . 67.5 t -65.39 95.64 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -100.55 114.58 28.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -147.16 126.66 13.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 83.9 m -96.69 148.18 23.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.482 HG23 ' CE2' ' A' ' 24' ' ' PHE . 97.5 mt -121.85 126.2 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.412 ' ND2' HD13 ' A' ' 31' ' ' ILE . 67.0 m-80 -96.43 133.7 40.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.403 ' HE1' ' O ' ' A' ' 129' ' ' THR . 16.4 mtm -144.52 110.81 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 34.7 p30 -82.74 130.25 35.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.456 ' CD1' ' HA ' ' A' ' 133' ' ' ARG . 0.5 OUTLIER -142.54 149.77 39.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.85 121.83 24.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.557 HG23 ' N ' ' A' ' 68' ' ' SER . 27.5 m -100.51 -48.85 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.557 ' N ' HG23 ' A' ' 67' ' ' VAL . 1.2 t -170.59 175.57 4.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.7 m-20 45.08 53.28 7.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' ASP . 3.7 pt-20 36.95 29.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -118.85 171.39 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.2 ptm -145.31 165.08 29.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.585 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -138.83 161.95 36.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.7 ttm -94.75 123.74 38.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.707 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 8.9 m-85 -104.46 111.77 24.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.5 m -85.04 116.31 23.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.481 ' HG ' HG22 ' A' ' 94' ' ' VAL . 6.7 mp -102.88 94.11 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.34 98.13 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 41.9 t -98.47 139.32 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 89.9 mt -134.79 111.08 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.14 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.814 HD23 ' HB3' ' A' ' 90' ' ' PRO . 18.6 mt -91.3 113.0 56.96 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.545 0.688 . . . . 0.0 110.957 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -173.32 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.649 2.233 . . . . 0.0 112.387 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -87.24 -10.47 52.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.814 ' HB2' HG22 ' A' ' 88' ' ' VAL . 1.2 mmpt? -80.42 -50.24 10.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.665 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.0 t80 -26.41 141.23 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.638 0.732 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.665 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.5 Cg_endo -69.75 -13.01 12.34 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.315 -0.047 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.613 ' HB3' ' HB3' ' A' ' 84' ' ' LYS . . . -32.38 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.814 HG22 ' HB2' ' A' ' 84' ' ' LYS . 2.9 m -101.39 126.77 55.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.436 HD12 ' HG2' ' A' ' 116' ' ' GLN . 59.4 mt -51.68 157.26 1.96 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.597 0.713 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.814 ' HB3' HD23 ' A' ' 81' ' ' LEU . 53.9 Cg_endo -69.73 -167.67 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.745 2.297 . . . . 0.0 112.32 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -129.48 70.85 1.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 29.0 mt -77.97 126.67 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.563 HG22 ' HD2' ' A' ' 95' ' ' ARG . 25.8 m -122.34 105.41 10.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.481 HG22 ' HG ' ' A' ' 77' ' ' LEU . 33.2 t -73.83 127.29 35.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.563 ' HD2' HG22 ' A' ' 93' ' ' THR . 0.3 OUTLIER -122.01 149.61 43.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.5 t -167.53 133.43 2.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 34.8 m -64.56 -22.8 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.585 HD11 ' CB ' ' A' ' 73' ' ' ALA . 14.0 mt -77.2 -43.99 31.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.515 HD11 HD13 ' A' ' 107' ' ' LEU . 42.3 mt -64.53 144.08 57.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.4 p -91.93 168.9 11.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -56.61 -23.65 42.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.7 t -88.91 -63.67 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 104' ' ' GLN . 0.6 OUTLIER -45.4 -61.56 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.467 ' HA ' ' NE2' ' A' ' 104' ' ' GLN . 4.7 tp60 -35.83 -53.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 37.3 m -48.67 -66.31 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -47.55 -47.5 28.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.663 HD11 ' HA ' ' A' ' 136' ' ' ALA . 10.5 tt -48.54 -57.25 6.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -61.9 -43.3 99.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 57.8 m -42.98 -42.32 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -79.03 -44.75 21.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.482 HD11 ' HB1' ' A' ' 128' ' ' ALA . 13.5 tp -41.61 -38.58 1.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 98.2 m -74.69 -39.99 61.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -55.07 -60.79 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 113' ' ' ALA . 25.6 t80 -37.28 -62.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 21.5 mt -53.92 -56.46 17.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.436 ' HG2' HD12 ' A' ' 89' ' ' LEU . 8.5 mm-40 -41.81 -27.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -95.79 -65.05 1.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -64.99 -64.29 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.844 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 6.3 t -88.48 99.31 12.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -138.74 108.98 6.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 97.32 -19.97 52.63 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.04 170.99 7.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 0.0 110.839 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.686 ' O ' HG23 ' A' ' 123' ' ' VAL . 35.1 m -99.9 99.78 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 23.7 m -135.02 96.94 3.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.565 HD11 HD21 ' A' ' 81' ' ' LEU . 39.8 mm -94.48 -31.56 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.184 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.36 -30.29 71.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -62.34 -21.14 65.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.482 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -81.78 -50.96 8.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.403 ' O ' ' HE1' ' A' ' 63' ' ' MET . 63.8 p -59.26 -35.91 74.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -72.5 -17.84 61.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.542 ' CE2' ' ND1' ' A' ' 135' ' ' HIS . 14.3 t90 -92.78 -30.93 15.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 134' ' ' GLU . 40.8 t -80.62 -52.46 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.456 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 1.9 ptm85 -36.61 -29.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 132' ' ' VAL . 34.3 tt0 -95.02 -53.62 3.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.542 ' ND1' ' CE2' ' A' ' 131' ' ' TRP . 10.3 m80 -58.89 -54.68 44.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.707 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -33.35 -68.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.1 t -51.79 -41.71 61.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -51.64 -41.32 49.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.469 ' CZ ' ' HA ' ' A' ' 107' ' ' LEU . 71.3 m-85 -69.16 -45.73 69.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.947 0.403 . . . . 0.0 110.915 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 52.6 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.895 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.775 0.321 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.506 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 21.0 tt0 -41.77 -52.18 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.7 -51.59 66.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.78 -31.7 68.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 9' ' ' GLN . . . -51.36 -48.65 62.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.103 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -64.45 -62.32 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.579 ' HA ' HD12 ' A' ' 17' ' ' LEU . 25.6 tp -46.13 -40.25 10.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.71 -65.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.404 ' HG2' ' N ' ' A' ' 17' ' ' LEU . 3.7 pt-20 -54.64 -39.2 67.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.648 HD21 HG11 ' A' ' 57' ' ' VAL . 26.3 mt -55.71 -40.55 72.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -70.36 -41.77 72.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.891 HD23 ' HG2' ' A' ' 23' ' ' MET . 2.5 tt -62.84 -57.93 9.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mt -44.28 -57.17 3.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.04 -42.66 2.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 m -77.16 -42.65 36.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.891 ' HG2' HD23 ' A' ' 19' ' ' LEU . 89.9 mmm -53.77 -31.5 48.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.624 0.726 . . . . 0.0 110.916 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.789 0.328 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -104.86 -46.29 4.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.583 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -136.01 129.96 32.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.502 HD12 ' N ' ' A' ' 31' ' ' ILE . 4.3 mp -127.55 135.17 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -111.47 114.39 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -75.26 -48.39 23.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -93.23 97.38 10.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -87.37 -45.78 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tp -44.92 -53.23 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -37.44 -52.44 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.5 t -63.25 -52.06 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -42.35 -46.12 4.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -61.5 -38.79 88.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.11 -47.31 85.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.402 ' HD2' HD13 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -59.61 -55.97 27.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -51.51 -41.01 60.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 97.7 m -56.63 -54.64 43.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.0 mt -60.42 -51.82 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.909 0.385 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.483 ' HB3' HG23 ' A' ' 80' ' ' ILE . 19.0 mtmt -70.27 138.41 51.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.648 HG11 HD21 ' A' ' 17' ' ' LEU . 60.9 t -68.66 95.47 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -94.8 110.98 22.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -140.96 129.29 22.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 42.8 m -93.95 146.29 24.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.158 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.4 mt -120.54 116.58 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -89.09 124.14 34.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 10.3 mtm -134.45 118.57 17.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -93.97 127.82 39.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.439 ' CD1' ' HA ' ' A' ' 133' ' ' ARG . 0.6 OUTLIER -137.0 157.21 47.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.84 136.77 32.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.481 HG11 HG11 ' A' ' 140' ' ' VAL . 1.3 m -114.17 -47.11 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.1 p -174.94 -177.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' LYS . 7.2 m-20 47.06 47.52 15.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 38.85 27.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 69' ' ' ASP . 7.4 mtmt -116.85 179.8 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.407 ' HB2' ' HE3' ' A' ' 72' ' ' MET . 8.1 ptm -151.34 156.84 41.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.12 167.34 14.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.401 ' SD ' ' N ' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -107.69 121.92 45.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.401 ' N ' ' SD ' ' A' ' 74' ' ' MET . 4.2 m-85 -102.38 145.95 28.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 75.1 m -113.14 122.14 46.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.475 HD11 HG11 ' A' ' 132' ' ' VAL . 4.8 mp -109.62 94.51 5.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.98 103.28 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 46.4 t -103.87 142.64 34.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.483 HG23 ' HB3' ' A' ' 56' ' ' LYS . 59.2 mt -138.99 113.11 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.154 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.3 mt -85.54 115.74 62.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.597 0.713 . . . . 0.0 110.922 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -173.81 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.359 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.46 ' CE1' ' HG3' ' A' ' 56' ' ' LYS . 1.3 m-85 -86.31 -7.87 58.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.71 ' HB2' HG22 ' A' ' 88' ' ' VAL . 6.9 mttp -88.61 -46.01 9.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.735 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -29.96 141.06 0.11 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.679 0.752 . . . . 0.0 110.925 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.735 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.6 Cg_endo -69.77 -6.05 9.22 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.335 -0.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.487 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -35.81 -76.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.71 HG22 ' HB2' ' A' ' 84' ' ' LYS . 3.2 m -99.99 128.3 52.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.191 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.8 mt -43.55 159.1 0.23 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.56 0.695 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.632 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.72 -169.07 0.3 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.669 2.246 . . . . 0.0 112.355 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -128.16 66.6 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.2 mt -72.1 146.59 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.538 HG22 ' HD2' ' A' ' 95' ' ' ARG . 11.1 m -142.93 104.97 4.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.719 HG21 HD21 ' A' ' 107' ' ' LEU . 3.1 t -77.6 127.87 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.538 ' HD2' HG22 ' A' ' 93' ' ' THR . 0.2 OUTLIER -123.47 145.45 48.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 t -175.07 137.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.824 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.9 p -74.43 -22.93 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.089 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.07 -44.06 90.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.7 mt -70.58 140.19 51.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.3 t -72.02 176.04 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.4 mtm-85 -58.51 -37.43 75.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.8 t -92.98 -50.64 5.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -49.95 -25.29 3.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -72.18 -72.11 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.8 t -44.78 -29.51 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -64.03 -41.21 97.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.719 HD21 HG21 ' A' ' 94' ' ' VAL . 2.3 tt -69.25 -34.42 74.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.453 ' OD1' HG23 ' A' ' 94' ' ' VAL . 83.4 m-20 -73.85 -56.56 4.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.0 m -44.99 -34.05 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 111' ' ' LEU . 4.3 t70 -80.86 -52.79 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.92 HD11 ' HB1' ' A' ' 128' ' ' ALA . 4.7 tp -35.12 -57.47 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 84.2 m -59.87 -49.91 75.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.176 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -45.2 -57.52 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.587 ' O ' ' CD2' ' A' ' 118' ' ' HIS . 31.8 t80 -34.34 -51.33 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.6 mt -67.28 -54.62 19.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -48.45 -21.39 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.72 -65.6 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 114' ' ' PHE . 4.3 p80 -103.89 -63.69 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.406 ' H ' ' CG ' ' A' ' 118' ' ' HIS . 87.0 m -70.72 96.34 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.9 105.94 2.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 138.71 -30.93 2.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.17 168.8 11.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.358 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.631 ' O ' HG23 ' A' ' 123' ' ' VAL . 27.1 m -64.45 102.67 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 25.8 p -126.22 80.69 1.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.9 mm -90.97 -57.14 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 129' ' ' THR . 12.4 mt -50.49 -53.52 29.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -38.32 -31.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.92 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -78.03 -42.68 31.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 126' ' ' LEU . 23.1 p -65.54 -44.96 85.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -63.5 -15.49 58.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.53 ' CE2' ' ND1' ' A' ' 135' ' ' HIS . 14.7 t90 -94.48 -26.44 16.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.525 ' CG2' HD22 ' A' ' 111' ' ' LEU . 18.2 t -80.05 -46.18 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.439 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 8.4 ptm180 -55.38 -28.91 57.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -87.65 -64.62 1.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.53 ' ND1' ' CE2' ' A' ' 131' ' ' TRP . 16.3 m80 -53.37 -46.65 69.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 132' ' ' VAL . . . -33.8 -71.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 10.1 p -42.44 -39.89 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -57.29 -49.07 75.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.494 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -63.81 -48.51 76.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.481 HG11 HG11 ' A' ' 67' ' ' VAL . 21.9 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.4 pm0 . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.773 0.32 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -66.92 -42.19 85.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.16 -33.2 73.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' ALA . 33.8 mt-10 -78.22 -48.09 16.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . -36.62 -47.64 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 82' ' ' PRO . 51.6 mt-30 -67.06 -62.33 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 15' ' ' ALA . 38.4 tp -46.99 -59.4 3.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -36.24 -56.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -59.34 -50.89 72.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.63 HD21 HG11 ' A' ' 57' ' ' VAL . 30.7 mt -44.89 -56.69 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -49.88 -47.93 51.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.51 -56.3 18.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 23' ' ' MET . 22.9 mt -47.43 -61.6 1.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.989 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.97 -40.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -74.33 -42.66 59.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' LEU . 92.0 mmm -60.03 -46.96 87.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.636 0.731 . . . . 0.0 110.863 -179.923 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.506 ' ND2' ' OE2' ' A' ' 29' ' ' GLU . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.766 0.317 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.506 ' OE2' ' ND2' ' A' ' 28' ' ' ASN . 0.3 OUTLIER -48.54 -43.15 35.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.536 HD21 HG23 ' A' ' 32' ' ' VAL . 1.4 tt -143.43 137.57 28.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.61 116.94 25.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.536 HG23 HD21 ' A' ' 30' ' ' LEU . 76.6 t -96.54 93.88 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -65.51 -53.52 41.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.61 80.92 3.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -76.74 -46.53 24.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.529 ' C ' HD23 ' A' ' 36' ' ' LEU . 7.7 tt -44.44 -52.16 8.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -38.28 -52.88 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.079 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.6 t -58.79 -54.6 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -45.89 -46.94 16.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -65.87 -51.25 60.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.4 tp -43.5 -58.71 2.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -43.38 -39.46 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.952 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -69.66 -38.81 77.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 21.9 m -54.98 -43.06 73.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 40.3 mt -73.98 -52.43 20.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.91 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.4 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.932 0.396 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -78.06 110.97 13.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.63 HG11 HD21 ' A' ' 17' ' ' LEU . 91.5 t -55.95 97.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -100.16 120.49 39.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -150.71 120.02 6.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.3 m -89.98 145.66 24.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.5 mt -119.99 127.33 75.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.452 ' HB3' ' CE ' ' A' ' 74' ' ' MET . 83.3 m-20 -104.22 120.45 41.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.0 mtm -123.42 113.0 18.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -84.83 127.8 34.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -144.77 147.29 32.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -75.68 137.92 40.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.457 HG11 HG21 ' A' ' 140' ' ' VAL . 2.4 m -116.36 -47.48 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 78.6 p -174.2 -178.99 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 71' ' ' LYS . 3.4 t0 43.67 53.07 6.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' ASP . 8.0 tt0 35.44 32.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 69' ' ' ASP . 19.6 mtpp -122.92 177.67 5.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.4 ptm -147.2 156.35 42.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.601 ' HB1' HD23 ' A' ' 98' ' ' LEU . . . -127.06 161.58 28.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.119 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.452 ' CE ' ' HB3' ' A' ' 62' ' ' ASN . 2.2 tpt -101.74 131.19 48.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.565 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 7.2 m-85 -111.93 109.09 18.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 91.1 p -84.55 119.44 25.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.764 ' HG ' HG22 ' A' ' 94' ' ' VAL . 5.7 mp -107.81 93.01 4.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.97 97.08 1.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.0 m -96.43 141.94 29.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 81.2 mt -138.42 115.81 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.1 mt -88.33 110.01 33.05 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.577 0.703 . . . . 0.0 110.943 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.414 ' O ' ' NE2' ' A' ' 13' ' ' GLN . 53.4 Cg_endo -69.71 -174.83 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.242 . . . . 0.0 112.345 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -95.68 26.01 4.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.68 ' HB2' HG22 ' A' ' 88' ' ' VAL . 0.6 OUTLIER -121.48 -42.74 2.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.658 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.4 t80 -31.14 140.53 0.15 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.655 0.74 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.658 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.7 Cg_endo -69.71 -9.51 10.95 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.379 -0.133 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.477 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -31.71 -74.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.68 HG22 ' HB2' ' A' ' 84' ' ' LYS . 3.1 m -106.29 127.45 61.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 mp -50.5 157.08 1.33 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.578 0.704 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.605 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.7 Cg_endo -69.82 172.9 11.85 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.251 . . . . 0.0 112.357 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -111.77 77.85 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.424 HG21 HD23 ' A' ' 77' ' ' LEU . 39.9 mt -83.5 138.01 19.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.1 m -132.75 114.34 14.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.764 HG22 ' HG ' ' A' ' 77' ' ' LEU . 13.3 t -89.13 135.18 26.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -134.34 143.17 47.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.6 t -158.67 126.17 5.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.444 HG22 HD22 ' A' ' 98' ' ' LEU . 5.6 m -67.15 -14.91 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.146 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.601 HD23 ' HB1' ' A' ' 73' ' ' ALA . 2.0 mm? -84.39 -27.84 27.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.43 HD21 ' HB3' ' A' ' 139' ' ' TYR . 13.9 mt -76.44 -178.59 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 101' ' ' ARG . 17.1 t -123.76 143.75 50.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -35.9 -39.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.89 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -73.51 -61.14 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 139' ' ' TYR . 37.0 mt-30 -51.23 -59.39 4.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -40.52 -61.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 85.1 m -45.31 -60.98 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -45.49 -50.09 13.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.495 HD12 ' CD2' ' A' ' 139' ' ' TYR . 10.1 tt -52.36 -51.93 56.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -55.71 -64.0 0.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 78.2 m -39.67 -48.16 2.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 111' ' ' LEU . 15.0 m-20 -65.88 -55.88 14.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.844 HD13 HG23 ' A' ' 132' ' ' VAL . 29.5 tp -34.5 -56.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 93.9 m -55.92 -50.91 69.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -50.33 -57.07 8.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 113' ' ' ALA . 2.8 t80 -34.39 -47.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' A' ' 128' ' ' ALA . 15.3 mt -70.42 -54.8 10.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -46.78 -22.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.425 ' C ' ' HD3' ' A' ' 117' ' ' LYS . 0.2 OUTLIER -81.69 -65.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -87.26 -60.74 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.2 t -77.51 98.72 5.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -141.16 122.75 15.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 74.37 28.66 63.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -143.25 -176.25 4.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.66 ' O ' HG23 ' A' ' 123' ' ' VAL . 27.7 m -116.72 94.38 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 3.9 m -142.5 105.11 4.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 34.0 mm -95.82 -51.97 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 127' ' ' ASN . 54.9 mt -41.8 -55.74 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 126' ' ' LEU . 5.5 m120 -37.53 -45.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.455 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -61.48 -60.92 2.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 69.4 p -45.42 -41.8 9.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -62.98 -57.52 10.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.517 ' CE3' ' O ' ' A' ' 131' ' ' TRP . 16.5 t90 -52.35 -16.63 0.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.844 HG23 HD13 ' A' ' 111' ' ' LEU . 20.0 t -90.78 -46.17 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.505 ' O ' ' NE ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -59.22 -17.76 30.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -94.4 -47.22 6.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.443 ' O ' ' C ' ' A' ' 136' ' ' ALA . 3.7 m-70 -72.66 -53.05 12.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.565 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -34.06 -65.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.4 p -38.96 -45.68 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.806 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -62.8 -41.91 99.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.495 ' CD2' HD12 ' A' ' 107' ' ' LEU . 40.9 m-85 -60.95 -48.05 83.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.963 0.411 . . . . 0.0 110.892 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.457 HG21 HG11 ' A' ' 67' ' ' VAL . 46.7 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.177 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.808 0.337 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -42.32 -42.23 3.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.27 -48.13 79.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -66.01 -39.61 90.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.02 -50.89 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -74.01 -46.71 41.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.441 HD13 ' HG3' ' A' ' 42' ' ' LYS . 44.5 tp -53.11 -64.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.96 -52.85 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -54.14 -53.03 58.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.565 HD21 HG11 ' A' ' 57' ' ' VAL . 86.2 mt -55.0 -51.84 65.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' A' ' 18' ' ' ASP . 7.2 t0 -55.55 -48.33 74.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' LEU . 4.4 tt -56.41 -64.14 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 19' ' ' LEU . 29.0 mt -35.41 -52.58 0.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.94 -46.96 5.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.091 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 93.4 p -67.57 -44.33 78.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.712 ' HE2' HD21 ' A' ' 126' ' ' LEU . 41.4 mmm -57.16 -37.67 72.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.571 0.7 . . . . 0.0 110.896 -179.934 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.836 0.35 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -104.8 -39.31 6.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.501 HD23 ' C ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -141.01 144.81 35.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mp -142.61 119.99 6.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.444 HG22 ' HB2' ' A' ' 59' ' ' PHE . 68.3 t -96.49 95.51 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -63.35 -51.2 66.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.43 ' OD2' ' HB3' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -71.93 117.24 13.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -110.22 -35.71 6.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.4 tp -54.59 -66.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.43 ' HB3' ' OD2' ' A' ' 34' ' ' ASP . . . -38.88 -46.36 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.6 t -67.21 -47.67 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.34 -51.3 62.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -64.53 -51.1 64.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.2 tp -46.6 -55.6 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.441 ' HG3' HD13 ' A' ' 14' ' ' LEU . 10.4 mtpp -60.88 -49.0 79.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -52.89 -38.35 61.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.0 m -59.16 -57.85 11.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.7 mt -47.26 -54.81 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.926 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.925 0.393 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.535 ' HB3' HG23 ' A' ' 80' ' ' ILE . 42.3 mttm -81.84 133.06 35.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.565 HG11 HD21 ' A' ' 17' ' ' LEU . 98.9 t -61.5 108.76 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.469 ' HE1' ' HB1' ' A' ' 78' ' ' ALA . 13.8 t80 -109.32 125.08 51.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.444 ' HB2' HG22 ' A' ' 32' ' ' VAL . 7.1 p90 -153.36 118.61 5.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.4 m -90.28 141.35 28.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.4 mt -117.28 125.06 73.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -98.84 114.36 26.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 51.1 mtp -115.74 129.39 56.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -97.09 122.6 40.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 133' ' ' ARG . 1.6 mt -145.46 159.3 43.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.32 128.59 35.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.552 HG21 HD13 ' A' ' 98' ' ' LEU . 30.6 m -103.74 -48.59 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.543 ' N ' HG23 ' A' ' 67' ' ' VAL . 1.3 t -174.67 175.98 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' LYS . 3.7 m-20 47.4 48.28 16.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 40.27 26.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' ASP . 19.6 mtmm -112.47 165.52 12.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.7 mtp -124.3 -174.29 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.592 ' HB2' HD11 ' A' ' 98' ' ' LEU . . . -165.83 170.22 14.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 54.5 mtp -106.27 123.77 48.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.558 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 10.3 m-85 -101.07 105.07 16.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.808 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.6 m -82.23 120.09 24.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.463 ' HG ' HG22 ' A' ' 94' ' ' VAL . 5.4 mp -113.79 93.32 4.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.469 ' HB1' ' HE1' ' A' ' 58' ' ' TYR . . . -74.34 95.39 2.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.426 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 36.5 t -93.93 128.41 40.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.535 HG23 ' HB3' ' A' ' 56' ' ' LYS . 75.0 mt -128.43 109.15 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.687 HD23 ' HB3' ' A' ' 90' ' ' PRO . 16.1 mt -82.55 119.77 75.33 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.622 0.725 . . . . 0.0 110.911 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -173.36 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.739 2.292 . . . . 0.0 112.328 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -89.74 3.9 51.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.754 ' HB2' HG22 ' A' ' 88' ' ' VAL . 13.7 mmtp -100.4 -47.24 4.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.95 ' CE2' HG12 ' A' ' 123' ' ' VAL . 1.2 t80 -27.46 141.26 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.655 0.741 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.72 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.6 Cg_endo -69.74 -7.12 9.76 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.362 -0.094 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.456 ' HB3' ' HB3' ' A' ' 84' ' ' LYS . . . -35.42 -76.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.754 HG22 ' HB2' ' A' ' 84' ' ' LYS . 2.8 m -101.99 130.6 51.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 115' ' ' LEU . 0.9 OUTLIER -45.12 158.07 0.31 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.727 . . . . 0.0 110.881 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.687 ' HB3' HD23 ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.82 -165.06 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.667 2.244 . . . . 0.0 112.296 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -133.12 67.91 1.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.2 mt -75.75 122.17 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.5 m -112.3 100.07 8.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.463 HG22 ' HG ' ' A' ' 77' ' ' LEU . 39.0 t -73.38 130.02 35.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 78.2 mtt-85 -138.12 141.45 40.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.513 ' HB3' HD12 ' A' ' 99' ' ' LEU . 38.1 t -152.65 139.0 18.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.4 t -61.99 -37.91 79.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.592 HD11 ' HB2' ' A' ' 73' ' ' ALA . 15.2 mt -67.34 -52.61 38.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.513 HD12 ' HB3' ' A' ' 96' ' ' SER . 41.8 mt -53.85 169.2 0.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.2 t -111.92 138.76 48.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.1 ttt-85 -38.12 -40.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.6 m -73.89 -54.93 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 104' ' ' GLN . 14.9 mm100 -54.74 -64.76 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 103' ' ' GLN . 4.5 tp60 -34.92 -49.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 49.2 m -45.5 -63.37 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.15 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -42.93 -47.33 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.785 HD12 ' CD2' ' A' ' 139' ' ' TYR . 9.1 tt -57.11 -39.6 75.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -64.27 -65.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 91.6 m -41.86 -38.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -76.7 -47.38 22.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.462 ' HB2' ' CZ3' ' A' ' 131' ' ' TRP . 8.7 tp -48.36 -59.62 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 113' ' ' ALA . 12.0 m -54.5 -61.28 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 112' ' ' THR . . . -35.19 -57.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.061 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.432 ' CE2' ' CE1' ' A' ' 118' ' ' HIS . 12.6 t80 -38.2 -49.49 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.734 HD11 ' HB2' ' A' ' 128' ' ' ALA . 17.3 mt -66.91 -54.67 19.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -45.88 -33.26 3.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.472 ' N ' ' HE2' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -87.9 -64.08 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.432 ' CE1' ' CE2' ' A' ' 114' ' ' PHE . 11.3 m-70 -52.45 -66.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 3.6 t -106.69 111.82 24.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -133.75 85.28 2.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 144.6 -26.31 1.96 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.5 -176.65 2.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.825 0.345 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.95 HG12 ' CE2' ' A' ' 85' ' ' TYR . 2.8 m -102.21 111.12 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.86 88.52 2.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 40.7 mm -89.4 -45.02 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.712 HD21 ' HE2' ' A' ' 23' ' ' MET . 11.9 mt -51.65 -59.71 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 126' ' ' LEU . 3.4 m120 -35.9 -37.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.734 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -67.58 -50.39 58.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 126' ' ' LEU . 74.7 p -60.87 -33.08 72.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -78.66 -17.23 56.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.492 ' CE2' ' ND1' ' A' ' 135' ' ' HIS . 11.2 t90 -89.64 -18.07 27.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 134' ' ' GLU . 17.8 t -89.68 -56.64 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.146 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.491 ' HA ' HD13 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -40.7 -24.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 132' ' ' VAL . 5.3 tm-20 -94.57 -58.07 2.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.492 ' ND1' ' CE2' ' A' ' 131' ' ' TRP . 10.0 m80 -56.99 -52.73 64.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.558 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -33.89 -66.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 136' ' ' ALA . 84.3 p -36.02 -45.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -59.3 -57.46 19.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.785 ' CD2' HD12 ' A' ' 107' ' ' LEU . 81.1 m-85 -55.72 -52.16 64.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.945 0.403 . . . . 0.0 110.885 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.529 HG11 ' HB ' ' A' ' 67' ' ' VAL . 58.7 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.759 0.314 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -40.34 -46.33 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.66 -42.7 62.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -64.01 -50.04 70.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -39.88 -62.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.067 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -51.01 -54.6 23.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 15' ' ' ALA . 26.9 tp -52.12 -66.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.71 -46.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.586 ' OE1' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -58.34 -52.27 66.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.5 mt -47.77 -53.66 14.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -49.95 -48.46 51.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 tt -51.49 -55.02 21.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.586 HD12 ' OE1' ' A' ' 16' ' ' GLU . 70.2 mt -53.51 -65.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -35.34 -36.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.2 m -78.58 -42.36 29.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 20' ' ' LEU . 60.6 mmm -63.23 -42.2 99.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.427 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 4.9 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.684 0.754 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 . . . . . 0 CA--C 1.526 0.052 0 CA-C-O 120.836 0.35 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -44.85 -40.11 5.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.517 ' C ' HD12 ' A' ' 31' ' ' ILE . 1.4 tt -144.6 145.14 31.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.517 HD12 ' C ' ' A' ' 30' ' ' LEU . 4.7 mp -142.38 118.25 5.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.56 HG22 ' CB ' ' A' ' 59' ' ' PHE . 67.2 t -98.9 96.42 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -66.14 -54.67 22.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -73.4 91.24 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -83.28 -45.62 13.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.09 -50.91 34.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.16 -42.86 3.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 81.3 t -70.67 -57.68 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -43.26 -48.03 6.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.28 -43.58 92.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.8 tp -58.68 -40.94 84.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -66.67 -62.07 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -43.14 -40.89 3.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.8 m -57.17 -54.91 41.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.2 mt -64.76 -50.02 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.938 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.961 0.41 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.451 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 20.8 mttp -84.81 127.78 34.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.937 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.3 t -65.98 112.12 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -115.57 127.88 55.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.56 ' CB ' HG22 ' A' ' 32' ' ' VAL . 37.5 p90 -155.75 118.6 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.3 m -89.8 143.96 26.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 75.3 mt -117.05 128.84 74.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.441 ' HB3' ' CE ' ' A' ' 74' ' ' MET . 82.6 m-20 -100.46 113.71 26.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.3 mtp -117.33 111.51 19.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -84.35 107.62 16.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.664 HD13 ' HA ' ' A' ' 133' ' ' ARG . 1.7 mt -134.47 162.44 32.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -73.76 141.38 46.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.617 HG11 HD12 ' A' ' 98' ' ' LEU . 29.9 m -116.07 -53.07 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.613 ' N ' HG23 ' A' ' 67' ' ' VAL . 1.8 m -175.34 175.7 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.508 ' OD1' ' CG ' ' A' ' 71' ' ' LYS . 1.1 p30 52.08 25.03 2.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 62.01 28.17 17.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.508 ' CG ' ' OD1' ' A' ' 69' ' ' ASP . 0.7 OUTLIER -116.27 156.52 26.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.9 mtp -112.11 164.96 12.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.732 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -158.03 155.92 30.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.441 ' CE ' ' HB3' ' A' ' 62' ' ' ASN . 51.5 ttm -84.76 144.45 28.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -119.25 114.18 22.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.5 m -85.03 118.78 24.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.528 ' HG ' HG22 ' A' ' 94' ' ' VAL . 5.2 mp -114.27 92.9 4.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.33 95.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 16.2 m -96.85 113.34 24.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 65.6 mt -115.4 110.47 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.449 HD23 ' HB3' ' A' ' 90' ' ' PRO . 34.2 mt -82.84 118.34 71.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.606 0.717 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -175.38 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.629 2.219 . . . . 0.0 112.314 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.451 ' CE2' ' HG3' ' A' ' 56' ' ' LYS . 72.8 m-85 -95.56 26.42 3.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.782 ' HB2' HG22 ' A' ' 88' ' ' VAL . 8.1 mttt -125.21 -41.51 2.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.675 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 3.0 t80 -30.76 141.35 0.13 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.696 0.76 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.675 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.5 Cg_endo -69.77 -8.75 10.7 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.353 -0.073 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.492 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -30.79 -73.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.782 HG22 ' HB2' ' A' ' 84' ' ' LYS . 10.0 m -109.58 129.0 65.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.542 HD13 ' OE1' ' A' ' 116' ' ' GLN . 7.4 mp -46.8 156.58 0.52 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.606 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.2 Cg_endo -69.71 -176.75 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.364 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -116.88 58.56 0.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.7 mt -66.24 124.64 21.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.3 m -121.5 101.95 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.528 HG22 ' HG ' ' A' ' 77' ' ' LEU . 50.4 t -75.42 115.07 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.164 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -124.47 132.57 53.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.522 ' HB3' HD12 ' A' ' 99' ' ' LEU . 33.0 t -144.67 112.08 6.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' SER . 27.1 m -35.06 -35.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.072 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.732 HD11 ' CB ' ' A' ' 73' ' ' ALA . 27.7 mt -62.04 -56.43 19.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.623 HD21 HG13 ' A' ' 140' ' ' VAL . 5.8 mt -70.96 144.71 50.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.467 ' H ' ' CG ' ' A' ' 103' ' ' GLN . 11.4 t -97.1 150.53 20.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 101' ' ' ARG . 20.9 mtm105 -42.76 -23.75 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 100' ' ' SER . 1.9 t -71.92 -54.8 8.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.467 ' CG ' ' H ' ' A' ' 100' ' ' SER . 0.7 OUTLIER -77.98 -47.2 19.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.437 ' HA ' ' NE2' ' A' ' 104' ' ' GLN . 6.3 tp60 -43.15 -62.57 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.4 t -43.55 -36.6 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -61.89 -49.91 74.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.534 ' C ' HD23 ' A' ' 107' ' ' LEU . 5.5 tt -61.04 -34.5 74.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -69.72 -58.09 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.4 m -43.43 -25.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 111' ' ' LEU . 47.3 t0 -93.69 -54.95 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.561 HD11 ' HB1' ' A' ' 128' ' ' ALA . 12.8 tp -36.12 -44.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.7 m -69.44 -48.55 60.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.01 -41.23 59.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.401 ' CE1' ' CG ' ' A' ' 118' ' ' HIS . 4.1 t80 -47.4 -57.37 5.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.535 ' HB2' HD23 ' A' ' 89' ' ' LEU . 18.3 mt -63.23 -48.84 76.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.542 ' OE1' HD13 ' A' ' 89' ' ' LEU . 15.7 mm-40 -39.13 -38.15 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -93.92 -62.5 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' HIS . . . . . 0.401 ' CG ' ' CE1' ' A' ' 114' ' ' PHE . 27.3 m-70 -52.14 -60.0 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.793 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 37.1 t -117.5 106.14 12.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -130.19 84.5 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 124.9 30.93 0.91 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.451 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -156.54 178.55 10.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.688 ' O ' HG23 ' A' ' 123' ' ' VAL . 35.0 m -100.6 98.4 6.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.63 95.84 3.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.836 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 49.6 mm -96.06 -38.86 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 128' ' ' ALA . 9.1 mt -58.6 -57.71 11.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 126' ' ' LEU . 3.8 m-20 -35.15 -32.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.561 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -69.45 -58.86 3.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 72.3 p -51.29 -38.96 55.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.53 -21.66 64.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.779 ' CZ2' ' CE1' ' A' ' 135' ' ' HIS . 34.5 t90 -87.45 -20.2 26.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 134' ' ' GLU . 81.5 t -82.37 -62.3 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.664 ' HA ' HD13 ' A' ' 65' ' ' LEU . 33.8 ptt180 -37.65 -28.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 132' ' ' VAL . 41.1 tt0 -87.13 -64.19 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.779 ' CE1' ' CZ2' ' A' ' 131' ' ' TRP . 17.0 m80 -55.41 -52.74 62.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.521 ' O ' HG22 ' A' ' 140' ' ' VAL . . . -38.06 -66.77 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.422 ' HA ' HG23 ' A' ' 140' ' ' VAL . 91.3 p -46.2 -29.65 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -70.9 -43.51 58.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.517 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -67.19 -31.36 71.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.941 0.4 . . . . 0.0 110.935 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.623 HG13 HD21 ' A' ' 99' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.114 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.784 0.326 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -65.75 -46.18 79.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.77 -38.96 76.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 12' ' ' ALA . 37.5 mt-10 -70.98 -51.9 22.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . -36.31 -65.54 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -49.87 -52.4 33.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.62 HD22 HD12 ' A' ' 45' ' ' ILE . 47.4 tp -49.24 -64.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -36.22 -45.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -63.16 -59.31 4.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.465 HD21 HD12 ' A' ' 81' ' ' LEU . 19.5 mt -48.35 -53.37 17.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -50.06 -41.19 47.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.8 tp -67.68 -51.33 50.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.9 mt -50.97 -60.3 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -37.13 -39.92 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t -79.92 -43.23 22.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 95.9 mmm -52.71 -16.08 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 110.907 -179.922 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.6 p30 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.815 0.34 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -102.09 -52.77 3.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.48 HD23 ' C ' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -125.28 140.01 53.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.2 mp -134.4 118.02 25.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 35' ' ' GLN . 55.8 t -91.41 94.31 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -49.15 -59.82 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.458 ' OD2' ' HB2' ' A' ' 37' ' ' ALA . 9.4 t0 -83.04 48.21 1.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.428 ' N ' HG12 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -41.99 -42.94 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 37' ' ' ALA . 5.2 tp -52.19 -47.28 65.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.458 ' HB2' ' OD2' ' A' ' 34' ' ' ASP . . . -37.28 -53.82 1.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.583 HG12 ' HD2' ' A' ' 42' ' ' LYS . 58.6 t -57.74 -45.78 86.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.092 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.2 -51.08 57.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -58.39 -55.21 37.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.6 tp -49.74 -40.26 40.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.583 ' HD2' HG12 ' A' ' 38' ' ' VAL . 31.8 mttt -64.38 -47.54 78.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -62.66 -35.93 81.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 7.5 m -60.17 -48.68 80.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.62 HD12 HD22 ' A' ' 14' ' ' LEU . 58.1 mt -61.72 -60.24 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.919 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.966 0.412 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -82.89 135.89 34.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.0 t -66.7 99.4 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.092 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.422 ' HE1' ' HB1' ' A' ' 78' ' ' ALA . 21.5 t80 -105.56 119.37 38.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -141.01 134.94 30.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 54.7 m -106.29 132.51 52.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 58.3 mt -106.43 130.35 58.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.404 ' HB3' ' CE ' ' A' ' 74' ' ' MET . 27.0 m120 -101.66 114.96 29.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 70.3 mtp -120.44 123.97 44.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 64' ' ' ASN . 0.6 OUTLIER -98.91 114.29 26.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.647 HD13 ' HA ' ' A' ' 133' ' ' ARG . 0.5 OUTLIER -128.87 145.79 51.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.03 127.25 32.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.612 HG23 ' N ' ' A' ' 68' ' ' SER . 33.6 m -99.94 -50.88 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.612 ' N ' HG23 ' A' ' 67' ' ' VAL . 1.8 m -173.13 174.88 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 47.5 50.54 14.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 41.02 30.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -123.84 162.8 22.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.427 ' HE2' ' HB2' ' A' ' 64' ' ' ASN . 5.6 ptm -134.13 171.37 14.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -138.78 165.54 26.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.404 ' CE ' ' HB3' ' A' ' 62' ' ' ASN . 3.2 tpt -93.94 118.73 31.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -105.15 119.4 38.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.8 m -98.63 128.2 44.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.571 HD21 HG21 ' A' ' 132' ' ' VAL . 6.7 mp -116.18 93.54 4.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.422 ' HB1' ' HE1' ' A' ' 58' ' ' TYR . . . -74.16 101.12 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.3 t -109.9 124.39 51.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 67.0 mt -113.49 133.04 60.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.465 HD12 HD21 ' A' ' 17' ' ' LEU . 54.2 mt -104.42 107.98 59.25 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.594 0.712 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -177.49 1.9 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.723 2.282 . . . . 0.0 112.364 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -92.67 26.85 2.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.615 ' HD2' HG11 ' A' ' 88' ' ' VAL . 7.4 mttt -119.63 -47.15 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.694 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.1 t80 -28.25 140.43 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.684 0.754 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.694 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.3 Cg_endo -69.75 -8.01 10.27 Favored 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.288 -0.048 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.48 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -33.48 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.089 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.615 HG11 ' HD2' ' A' ' 84' ' ' LYS . 2.3 m -104.36 129.96 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.1 mt -52.99 154.09 5.51 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.62 0.724 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.631 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.7 Cg_endo -69.78 176.24 7.05 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 91' ' ' GLU . 1.0 OUTLIER -112.18 83.81 1.86 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 36.6 mt -89.35 124.55 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.7 m -123.78 104.26 8.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.475 ' O ' ' CG ' ' A' ' 104' ' ' GLN . 21.9 t -75.45 126.21 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -137.22 140.56 41.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.5 t -157.54 137.34 12.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.582 HG23 ' CD2' ' A' ' 98' ' ' LEU . 27.7 m -59.32 -31.39 46.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.582 ' CD2' HG23 ' A' ' 97' ' ' VAL . 1.5 mm? -66.04 -55.48 16.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.41 154.68 31.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.8 t -88.06 155.8 19.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -48.23 -39.24 20.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.0 m -77.99 -55.67 5.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 104' ' ' GLN . 51.3 mt-30 -50.15 -62.99 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.489 ' O ' ' ND2' ' A' ' 108' ' ' ASN . 4.3 tp60 -34.7 -53.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.417 ' HA ' ' OD1' ' A' ' 108' ' ' ASN . 92.8 m -51.6 -58.5 6.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -42.13 -39.13 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.502 HD23 ' N ' ' A' ' 108' ' ' ASN . 10.3 tt -64.53 -73.13 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.502 ' N ' HD23 ' A' ' 107' ' ' LEU . 0.9 OUTLIER -45.2 -41.09 7.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.3 m -48.94 -37.1 19.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -87.81 -36.93 16.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.765 HD11 ' HB1' ' A' ' 128' ' ' ALA . 7.0 tp -48.21 -44.07 32.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 113' ' ' ALA . 91.5 m -67.48 -60.02 2.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 112' ' ' THR . . . -36.63 -45.96 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -44.59 -54.74 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 116' ' ' GLN . 11.4 mt -64.08 -50.32 68.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 115' ' ' LEU . 90.3 mt-30 -35.47 -38.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.02 -61.65 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -59.12 -62.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 12.7 m -100.69 104.61 15.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -131.23 97.64 4.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 93.77 33.5 7.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.439 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.79 -179.22 6.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.571 ' O ' HG23 ' A' ' 123' ' ' VAL . 33.3 m -113.19 112.65 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.8 m -162.06 105.16 1.17 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 46.5 mm -95.4 -50.61 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 127' ' ' ASN . 20.8 mt -44.62 -55.39 5.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 126' ' ' LEU . 4.8 m120 -34.44 -40.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.765 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -69.31 -52.14 30.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 67.2 p -53.95 -27.47 31.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.117 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -78.06 -23.81 47.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.599 ' CE3' ' O ' ' A' ' 131' ' ' TRP . 32.8 t90 -85.8 -12.76 50.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.651 ' CG2' HD22 ' A' ' 111' ' ' LEU . 71.1 t -92.33 -56.3 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.174 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.647 ' HA ' HD13 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -48.61 -19.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -94.43 -64.42 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 138' ' ' GLY . 5.9 m-70 -55.33 -47.82 75.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -34.7 -70.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.438 ' HA ' HG23 ' A' ' 140' ' ' VAL . 86.2 p -39.95 -34.95 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.816 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -60.78 -54.07 40.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -57.94 -45.78 86.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.933 0.397 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.438 HG23 ' HA ' ' A' ' 137' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.775 0.321 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 12' ' ' ALA . 43.2 mt-30 -44.16 -67.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 9' ' ' GLN . . . -37.99 -39.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -75.19 -37.93 61.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 9' ' ' GLN . . . -48.56 -50.42 32.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -65.21 -62.1 1.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.546 ' HA ' HD12 ' A' ' 17' ' ' LEU . 46.9 tp -40.97 -62.91 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.05 -52.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -57.16 -51.4 69.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 14' ' ' LEU . 41.1 mt -51.02 -64.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -36.31 -49.36 0.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 tt -55.12 -60.53 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' MET . 22.4 mt -42.44 -64.7 0.56 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.41 -41.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 m -73.99 -44.38 54.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 20' ' ' LEU . 39.7 mmm -60.34 -39.11 85.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 0.0 110.856 -179.951 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.438 ' HA ' HD11 ' A' ' 31' ' ' ILE . 16.4 t-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.767 0.317 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -38.65 -47.79 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.592 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -142.24 128.84 20.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.438 HD11 ' HA ' ' A' ' 28' ' ' ASN . 5.3 mp -124.7 119.1 55.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.1 t -96.05 105.98 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.072 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.508 ' HB2' ' CD2' ' A' ' 58' ' ' TYR . 55.8 m-80 -73.46 -48.15 35.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -84.77 88.73 7.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -76.6 -41.78 44.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.98 -54.12 39.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -41.81 -61.94 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.424 ' CG1' ' HE3' ' A' ' 42' ' ' LYS . 93.9 t -49.52 -57.09 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.35 -40.73 50.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.1 -41.95 98.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 tp -54.22 -51.66 63.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.424 ' HE3' ' CG1' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -56.59 -51.38 68.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.813 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -57.65 -42.93 84.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.5 t -52.3 -56.53 14.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.0 mt -50.78 -58.72 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.936 0.398 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -79.8 145.18 32.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.4 t -73.64 97.84 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.508 ' CD2' ' HB2' ' A' ' 33' ' ' ASN . 24.3 t80 -100.5 123.32 44.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -150.41 127.34 11.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.1 m -94.2 146.13 24.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.0 mt -122.24 124.57 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.419 ' HB3' ' HE3' ' A' ' 74' ' ' MET . 30.4 m120 -97.18 123.49 40.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 26.6 mtm -129.88 116.04 18.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -83.9 134.21 34.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.82 152.48 41.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -75.54 77.58 2.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.727 HG13 ' H ' ' A' ' 68' ' ' SER . 0.4 OUTLIER -51.03 -71.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.727 ' H ' HG13 ' A' ' 67' ' ' VAL . 6.1 t -174.09 -179.62 1.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 56.91 50.18 12.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 42.98 30.13 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -137.19 173.31 11.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.547 ' HA ' HG12 ' A' ' 67' ' ' VAL . 3.6 ptm -132.45 156.99 45.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.725 ' HB2' HD11 ' A' ' 98' ' ' LEU . . . -126.58 171.19 11.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.419 ' HE3' ' HB3' ' A' ' 62' ' ' ASN . 68.6 mtp -112.95 131.43 55.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.916 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 10.7 m-85 -110.3 116.55 31.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 72.8 p -88.9 113.74 24.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.479 HD11 HG11 ' A' ' 132' ' ' VAL . 5.0 mp -102.23 96.01 6.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.84 93.63 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.061 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 60.1 m -91.19 140.36 29.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 78.3 mt -140.53 115.52 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.636 HD21 HD11 ' A' ' 125' ' ' ILE . 76.2 mt -88.28 119.84 70.36 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.627 0.727 . . . . 0.0 110.921 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.492 ' HG3' HG23 ' A' ' 88' ' ' VAL . 54.0 Cg_endo -69.73 -175.27 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.261 . . . . 0.0 112.361 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -99.06 27.34 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.57 ' HB2' HG22 ' A' ' 88' ' ' VAL . 1.8 mtpp -128.65 -39.28 1.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.687 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.6 t80 -28.32 141.39 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.659 0.742 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.687 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.7 Cg_endo -69.79 -8.89 10.8 Favored 'Cis proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.356 -0.061 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.54 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -30.87 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.57 HG22 ' HB2' ' A' ' 84' ' ' LYS . 4.3 m -104.43 127.21 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.439 HD11 ' HA ' ' A' ' 116' ' ' GLN . 28.1 mt -46.59 158.67 0.39 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.595 0.712 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.612 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.1 Cg_endo -69.73 178.71 4.28 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.642 2.228 . . . . 0.0 112.343 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -119.78 68.92 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 69.8 mt -75.9 131.63 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.44 HG22 ' HD3' ' A' ' 95' ' ' ARG . 30.6 m -125.01 98.08 5.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.538 ' HB ' HD22 ' A' ' 107' ' ' LEU . 4.8 t -73.51 132.07 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.44 ' HD3' HG22 ' A' ' 93' ' ' THR . 13.7 mmm180 -130.63 155.19 46.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.529 ' HB3' HD12 ' A' ' 99' ' ' LEU . 34.8 t -171.54 124.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.401 ' CG1' ' N ' ' A' ' 98' ' ' LEU . 1.9 p -56.65 -37.97 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.091 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.725 HD11 ' HB2' ' A' ' 73' ' ' ALA . 22.3 mt -60.51 -47.22 87.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' A' ' 96' ' ' SER . 19.7 mt -59.97 153.54 21.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.5 m -94.3 174.87 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -58.22 -42.74 86.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.1 m -75.62 -61.27 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -42.33 -65.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -39.8 -53.05 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 28.9 m -49.39 -63.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -41.0 -51.97 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.569 ' C ' HD23 ' A' ' 107' ' ' LEU . 8.1 tt -52.28 -58.56 6.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -42.09 -49.34 4.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 54.9 m -63.45 -47.97 79.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 111' ' ' LEU . 6.7 m-20 -56.81 -59.88 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.577 HD13 HG23 ' A' ' 132' ' ' VAL . 18.2 tp -36.44 -57.49 0.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 60.3 m -51.54 -53.86 33.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -41.6 -57.66 2.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.537 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 22.4 t80 -38.92 -57.01 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 117' ' ' LYS . 49.1 mt -61.47 -53.81 51.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.439 ' HA ' HD11 ' A' ' 89' ' ' LEU . 54.9 mt-30 -36.06 -32.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 115' ' ' LEU . 9.6 ttmt -99.08 -64.23 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -51.8 -51.46 56.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.803 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 8.6 t -120.77 105.55 10.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -130.73 78.31 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 119.87 27.44 2.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -147.05 175.75 10.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.564 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 34.5 m -105.27 115.15 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 5.2 m -160.92 105.76 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.636 HD11 HD21 ' A' ' 81' ' ' LEU . 19.5 mm -93.85 -44.16 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 22.6 mt -52.8 -47.73 67.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.537 ' OD1' ' CZ ' ' A' ' 114' ' ' PHE . 8.5 t-20 -44.61 -28.95 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.488 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -82.88 -45.31 14.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 59.5 p -61.25 -27.12 68.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -81.34 -17.99 47.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.577 ' CE3' ' O ' ' A' ' 131' ' ' TRP . 8.5 t90 -93.26 -14.68 26.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.577 HG23 HD13 ' A' ' 111' ' ' LEU . 21.1 t -94.01 -57.49 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 132' ' ' VAL . 6.6 ptm180 -36.74 -29.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 132' ' ' VAL . 32.7 tt0 -90.67 -54.7 3.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.453 ' O ' ' C ' ' A' ' 136' ' ' ALA . 30.0 m80 -62.92 -55.55 24.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.916 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -33.89 -68.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.065 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.3 m -51.44 -38.26 52.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -55.64 -47.97 74.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.505 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.568 ' CD2' HD12 ' A' ' 107' ' ' LEU . 68.8 m-85 -56.96 -53.59 56.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.917 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.48 HG11 ' CG2' ' A' ' 67' ' ' VAL . 89.5 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.762 0.315 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -42.94 -58.57 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.41 -40.44 1.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -75.72 -41.03 54.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.74 -48.97 10.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -68.81 -61.4 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.87 ' HA ' HD12 ' A' ' 17' ' ' LEU . 19.0 tp -44.96 -62.53 1.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.3 -62.82 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.061 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -49.8 -55.25 14.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.87 HD12 ' HA ' ' A' ' 14' ' ' LEU . 20.0 mt -43.78 -54.17 5.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -53.49 -41.67 66.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.434 HD11 ' SD ' ' A' ' 23' ' ' MET . 10.7 tp -65.94 -50.98 62.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.7 mt -46.48 -52.32 13.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.05 -45.81 1.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.043 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -79.7 -35.79 38.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.434 ' SD ' HD11 ' A' ' 19' ' ' LEU . 82.4 mmm -52.51 -34.38 49.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.617 0.722 . . . . 0.0 110.902 -179.92 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.819 0.342 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -86.58 -69.25 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.531 HD21 HG23 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -103.59 135.86 44.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.37 120.26 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.531 HG23 HD21 ' A' ' 30' ' ' LEU . 86.5 t -100.0 94.34 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -62.9 -45.81 90.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -85.23 58.61 5.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -56.0 -42.26 76.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.966 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.5 tp -55.11 -49.57 71.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.469 ' HB1' ' O ' ' A' ' 55' ' ' SER . . . -42.45 -53.35 4.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.49 HG12 ' NZ ' ' A' ' 42' ' ' LYS . 25.9 t -61.41 -41.12 88.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.6 -45.84 84.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -60.06 -38.92 84.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.601 HD23 ' HB2' ' A' ' 14' ' ' LEU . 14.7 tp -52.83 -48.9 66.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.49 ' NZ ' HG12 ' A' ' 38' ' ' VAL . 0.8 OUTLIER -54.08 -58.73 6.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.827 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -42.42 -47.51 5.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 74.5 m -54.31 -49.96 68.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 24.2 mt -61.58 -55.63 23.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.469 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 19.1 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.885 0.374 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.481 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 29.0 mttt -63.8 128.86 37.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.4 t -56.0 97.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -103.39 123.15 46.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.402 ' CB ' HG22 ' A' ' 32' ' ' VAL . 25.0 p90 -149.69 132.08 15.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.4 m -100.38 140.4 34.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.2 mt -113.49 129.58 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.486 ' C ' ' HE3' ' A' ' 74' ' ' MET . 77.2 m-20 -106.33 114.07 27.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.49 ' N ' ' HE3' ' A' ' 74' ' ' MET . 26.6 mtp -117.64 114.16 22.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -80.55 110.84 16.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.666 HD13 ' HA ' ' A' ' 133' ' ' ARG . 0.4 OUTLIER -138.57 162.44 34.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -73.01 147.82 44.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.928 ' HB ' HG11 ' A' ' 140' ' ' VAL . 23.3 m -125.23 -50.11 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.553 ' N ' HG23 ' A' ' 67' ' ' VAL . 27.3 p -167.63 176.97 6.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 70' ' ' GLU . 69.7 m-20 37.65 53.83 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 69' ' ' ASP . 27.8 tt0 35.01 43.24 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -119.32 167.58 11.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 17.2 mtp -122.2 158.5 29.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.599 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -155.47 163.47 39.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.49 ' HE3' ' N ' ' A' ' 63' ' ' MET . 1.9 tpt -95.95 144.5 26.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -121.54 109.8 15.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.3 m -83.72 119.66 25.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.504 ' HG ' HG22 ' A' ' 94' ' ' VAL . 5.1 mp -112.9 94.68 5.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.41 ' HB3' ' HB ' ' A' ' 93' ' ' THR . . . -73.0 96.4 2.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 53.5 t -102.28 127.7 49.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.481 ' CG2' ' HB3' ' A' ' 56' ' ' LYS . 85.6 mt -126.17 103.36 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.642 HD12 HD21 ' A' ' 17' ' ' LEU . 18.5 mt -74.03 120.64 82.35 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.639 0.733 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -170.8 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -92.75 -11.59 33.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.489 ' O ' ' C ' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -88.22 -39.35 14.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.75 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 3.7 t80 -30.48 142.42 0.1 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.644 0.735 . . . . 0.0 110.94 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.75 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.6 Cg_endo -69.77 -8.91 10.78 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.349 -0.051 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.491 ' C ' ' O ' ' A' ' 86' ' ' PRO . . . -29.11 -72.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.475 HG22 ' HD3' ' A' ' 84' ' ' LYS . 3.0 m -107.45 126.67 63.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.8 mt -44.46 158.0 0.29 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.627 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.2 Cg_endo -69.76 -172.92 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.663 2.242 . . . . 0.0 112.35 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -121.98 60.64 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.9 mt -65.29 132.31 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.41 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 85.3 m -125.93 98.42 5.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.559 ' CG2' HD22 ' A' ' 111' ' ' LEU . 20.7 t -73.36 134.21 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -143.08 158.13 43.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -171.77 132.51 0.72 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.4 m -56.42 -27.45 24.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.602 HD13 HG21 ' A' ' 67' ' ' VAL . 27.3 mt -67.12 -55.05 15.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.512 HD12 ' OE1' ' A' ' 104' ' ' GLN . 8.6 mt -64.66 167.5 7.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.95 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.2 m -106.33 171.26 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.408 ' C ' ' HD3' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -63.04 -14.35 47.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.9 m -94.48 -62.37 1.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -51.78 -56.15 15.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.512 ' OE1' HD12 ' A' ' 99' ' ' LEU . 18.8 tp60 -46.03 -44.54 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 92.5 m -59.18 -53.23 60.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -55.39 -40.16 71.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.615 HD12 ' CD2' ' A' ' 139' ' ' TYR . 8.1 tt -60.88 -43.99 97.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -63.65 -47.42 81.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 58.5 m -47.43 -38.31 13.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -81.91 -45.8 14.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.559 HD22 ' CG2' ' A' ' 94' ' ' VAL . 18.6 tp -45.09 -42.28 8.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 95.8 m -71.61 -47.58 53.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.56 -45.73 73.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.495 ' CD1' ' CD1' ' A' ' 131' ' ' TRP . 45.6 t80 -42.57 -67.34 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.664 HD11 ' HB2' ' A' ' 128' ' ' ALA . 15.5 mt -53.87 -55.92 22.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 115' ' ' LEU . 14.7 mm-40 -34.78 -37.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 115' ' ' LEU . 18.3 ttpt -97.98 -64.93 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -52.0 -60.78 2.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 8.0 m -127.62 113.41 16.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -150.36 113.47 4.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 130.89 -28.58 3.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.19 165.87 13.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.671 HG12 ' CE2' ' A' ' 85' ' ' TYR . 15.9 m -74.8 100.47 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 68.6 m -134.91 86.46 2.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.6 mm -90.07 -37.4 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.78 -30.2 71.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -59.94 -41.51 91.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.664 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -64.1 -53.6 47.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 61.0 p -51.31 -42.18 61.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.179 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -64.39 -22.91 67.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.609 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 20.7 t90 -85.7 -23.86 27.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.468 HG21 HD21 ' A' ' 77' ' ' LEU . 96.0 t -81.93 -59.24 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.666 ' HA ' HD13 ' A' ' 65' ' ' LEU . 7.3 ptt180 -40.28 -28.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 132' ' ' VAL . 4.6 tp10 -90.84 -64.25 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.609 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 5.4 m-70 -52.2 -53.73 39.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.98 -69.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 52.9 p -37.51 -40.54 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -63.09 -54.33 33.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.615 ' CD2' HD12 ' A' ' 107' ' ' LEU . 77.8 m-85 -55.78 -53.21 59.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.918 0.389 . . . . 0.0 110.945 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.928 HG11 ' HB ' ' A' ' 67' ' ' VAL . 59.8 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.808 0.337 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -42.03 -53.01 4.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.64 -50.47 60.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -61.86 -40.6 95.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -46.03 -42.64 13.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -80.43 -49.52 11.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 15' ' ' ALA . 18.2 tp -53.84 -62.34 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.88 -52.82 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -56.96 -58.97 5.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.3 mt -45.92 -58.79 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -46.87 -41.04 15.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.5 tp -69.61 -49.49 53.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' ALA . 32.9 mt -49.46 -60.02 3.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -35.41 -47.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.0 m -74.96 -45.3 43.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 86.0 mmm -46.01 -38.82 8.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.612 0.72 . . . . 0.0 110.873 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.743 0.306 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -102.41 -37.7 7.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.576 HD23 ' C ' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -144.63 146.36 32.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.4 mp -142.79 124.19 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.475 HG12 ' O ' ' A' ' 32' ' ' VAL . 23.5 t -98.64 95.48 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -65.71 -50.97 62.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -88.14 87.97 7.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.81 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -78.06 -41.41 35.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tp -43.45 -57.62 2.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -38.1 -50.85 1.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 79.7 t -66.69 -58.97 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.119 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -37.97 -53.39 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -60.47 -43.59 96.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.3 tp -48.18 -49.85 31.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.5 -44.91 96.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -56.42 -43.15 79.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.4 t -60.46 -52.48 65.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.0 mt -61.01 -54.26 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.929 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.968 0.413 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.479 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 6.3 mtmm -65.24 137.81 57.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.9 t -73.26 102.16 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -98.28 115.17 27.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 29.6 p90 -143.08 120.08 11.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.442 ' CG2' ' HB3' ' A' ' 76' ' ' SER . 25.7 m -91.25 138.68 31.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.143 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.2 mt -113.48 123.46 69.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -97.71 120.15 37.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 35.2 mtp -124.36 110.38 14.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -80.35 128.09 33.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 133' ' ' ARG . 0.8 OUTLIER -142.72 149.17 38.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.14 131.25 35.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 137' ' ' SER . 5.1 m -109.04 -43.52 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.8 p -175.07 173.74 2.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.817 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 71' ' ' LYS . 2.2 t70 49.1 50.37 18.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 38.55 28.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -114.63 -179.14 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.2 ptm -153.94 160.48 42.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.817 ' HB2' HD11 ' A' ' 98' ' ' LEU . . . -129.8 158.84 38.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 22.9 ttm -90.35 125.92 35.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.682 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 25.3 m-85 -108.3 105.88 15.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.442 ' HB3' ' CG2' ' A' ' 60' ' ' THR . 16.2 m -86.1 124.33 32.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.2 mp -112.46 94.15 4.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.409 ' HB3' ' HB ' ' A' ' 93' ' ' THR . . . -72.14 95.77 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 28.5 m -98.08 121.66 40.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.479 ' CG2' ' HB3' ' A' ' 56' ' ' LYS . 86.8 mt -125.96 119.25 54.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.438 HD23 ' HB3' ' A' ' 90' ' ' PRO . 34.5 mt -86.63 110.03 28.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.732 . . . . 0.0 110.936 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.401 ' HA ' ' HG2' ' A' ' 56' ' ' LYS . 53.3 Cg_endo -69.71 179.29 3.77 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.378 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -82.69 20.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.798 ' HB2' HG22 ' A' ' 88' ' ' VAL . 21.2 mmtt -115.27 -50.15 2.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.726 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.9 t80 -27.34 140.87 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.672 0.749 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.726 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 54.1 Cg_endo -69.79 -9.17 10.94 Favored 'Cis proline' 0 C--N 1.341 0.14 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.31 0.004 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.501 ' HB3' ' HB3' ' A' ' 84' ' ' LYS . . . -33.33 -76.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.798 HG22 ' HB2' ' A' ' 84' ' ' LYS . 2.5 m -99.5 129.52 49.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.563 HD12 ' HG2' ' A' ' 116' ' ' GLN . 59.3 mt -48.24 157.64 0.65 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.706 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.624 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.2 Cg_endo -69.76 156.46 63.28 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.636 2.224 . . . . 0.0 112.376 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -90.82 77.83 6.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 31.5 mt -83.7 106.81 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.409 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 85.6 m -102.76 108.72 20.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.2 t -81.38 132.65 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -131.68 149.61 52.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.542 ' HB3' HD12 ' A' ' 99' ' ' LEU . 43.7 t -172.7 134.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.589 HG13 HD23 ' A' ' 98' ' ' LEU . 4.3 p -64.2 -32.72 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.13 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.817 HD11 ' HB2' ' A' ' 73' ' ' ALA . 15.6 mt -65.84 -43.15 89.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.542 HD12 ' HB3' ' A' ' 96' ' ' SER . 49.8 mt -70.19 138.29 51.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.4 t -83.65 152.84 24.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -45.95 -34.76 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.1 m -78.19 -54.48 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -53.47 -55.66 23.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -40.35 -53.67 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 89.1 m -45.78 -61.33 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -49.82 -55.03 15.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.439 HD12 ' CD2' ' A' ' 139' ' ' TYR . 10.6 tt -42.79 -60.2 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -50.13 -51.82 40.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 23.0 m -43.45 -42.62 4.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.552 ' HB3' ' CH2' ' A' ' 131' ' ' TRP . 0.7 OUTLIER -75.27 -56.85 4.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.717 HD13 HG23 ' A' ' 132' ' ' VAL . 11.1 tp -36.63 -60.16 0.62 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.0 m -56.54 -49.46 74.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -48.58 -53.76 17.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 113' ' ' ALA . 8.0 t80 -35.47 -60.6 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.656 HD11 ' HB2' ' A' ' 128' ' ' ALA . 6.2 mt -58.56 -51.33 70.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.563 ' HG2' HD12 ' A' ' 89' ' ' LEU . 40.6 mt-30 -45.4 -32.8 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -64.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -92.42 -65.04 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 86.0 m -71.06 90.81 0.86 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -143.14 116.67 9.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 97.46 -18.64 57.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.477 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.43 160.45 17.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.481 ' O ' HG23 ' A' ' 123' ' ' VAL . 15.7 m -84.53 110.94 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 28.1 m -154.55 105.29 2.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.449 ' CD1' ' HG3' ' A' ' 90' ' ' PRO . 47.1 mm -96.09 -50.99 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 127' ' ' ASN . 12.6 mt -45.23 -50.97 11.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 126' ' ' LEU . 9.8 m120 -36.65 -43.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.669 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -63.86 -51.58 63.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 30.1 p -55.28 -33.82 63.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -70.17 -29.06 65.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.562 ' CE3' ' O ' ' A' ' 131' ' ' TRP . 24.0 t90 -82.74 -22.42 34.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.717 HG23 HD13 ' A' ' 111' ' ' LEU . 98.9 t -87.97 -56.53 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.464 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 10.8 ptp180 -38.43 -26.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 132' ' ' VAL . 4.3 tp10 -95.26 -64.52 1.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.461 ' O ' ' C ' ' A' ' 136' ' ' ALA . 37.9 m-70 -53.61 -51.38 63.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.682 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -33.26 -70.32 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.484 ' HA ' HG12 ' A' ' 67' ' ' VAL . 21.9 m -45.51 -41.79 10.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -53.92 -54.27 32.05 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.439 ' CD2' HD12 ' A' ' 107' ' ' LEU . 68.2 m-85 -54.33 -53.46 53.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.946 0.403 . . . . 0.0 110.888 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 52.1 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.916 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.821 0.343 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -45.38 -51.79 10.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.99 -42.69 38.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -69.3 -42.22 75.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -47.07 -51.36 17.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -67.73 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.756 HD11 ' HD2' ' A' ' 42' ' ' LYS . 54.1 tp -40.05 -59.93 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.36 -59.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -52.67 -55.4 22.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.42 HD11 HD12 ' A' ' 81' ' ' LEU . 57.7 mt -47.44 -63.89 0.93 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -41.04 -55.84 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.554 HD23 ' HG2' ' A' ' 23' ' ' MET . 3.4 tt -51.47 -62.68 1.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 23' ' ' MET . 18.4 mt -36.01 -59.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.69 -43.18 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.162 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 t -76.45 -39.7 52.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.554 ' HG2' HD23 ' A' ' 19' ' ' LEU . 91.2 mmm -53.49 -39.18 64.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 -179.948 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.838 0.352 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -97.03 -73.24 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.59 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -96.13 128.72 43.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.1 mp -127.37 127.99 69.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.0 p -111.51 125.36 68.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -86.86 -50.85 6.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -88.44 89.84 8.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -81.98 -38.76 24.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.4 tp -45.73 -55.37 6.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.08 -45.92 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.097 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.72 HG12 ' HE2' ' A' ' 42' ' ' LYS . 54.2 t -69.26 -60.45 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -40.01 -47.28 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -67.59 -37.77 83.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.45 HD23 ' HB2' ' A' ' 14' ' ' LEU . 12.6 tp -56.47 -22.16 30.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.756 ' HD2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -83.38 -37.35 23.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.816 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -76.07 -50.31 15.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 45' ' ' ILE . 1.4 p -41.12 -41.5 1.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.444 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 34.9 mt -67.03 -50.67 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.1 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.953 0.406 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -85.43 130.52 34.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.08 97.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.169 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -97.65 122.15 40.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.546 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 40.1 p90 -155.44 126.07 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.486 HG22 ' N ' ' A' ' 61' ' ' ILE . 27.6 m -96.39 158.94 15.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.486 ' N ' HG22 ' A' ' 60' ' ' THR . 85.5 mt -133.58 127.27 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -103.91 121.04 42.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.3 mtm -124.25 123.27 39.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -85.31 114.41 22.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.531 HD13 ' HA ' ' A' ' 133' ' ' ARG . 1.4 mt -142.66 162.19 36.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -85.13 151.54 24.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.6 m -121.42 -45.23 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.0 t -173.74 171.21 3.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 49.76 37.49 13.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 48.96 31.06 3.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -101.37 169.87 8.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.2 mtp -128.72 153.01 47.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.621 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -156.84 156.07 32.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 47.0 mtp -87.63 148.7 24.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.543 ' HZ ' HG21 ' A' ' 140' ' ' VAL . 16.8 m-85 -129.65 106.26 8.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.5 p -82.02 128.93 34.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.489 HD21 HG21 ' A' ' 132' ' ' VAL . 6.8 mp -123.08 95.25 4.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.959 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.6 93.32 1.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.546 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 12.0 m -92.98 125.02 37.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 95.2 mt -126.02 142.33 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.736 HD21 HD11 ' A' ' 125' ' ' ILE . 52.5 mt -113.67 115.76 46.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.583 0.706 . . . . 0.0 110.93 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -168.61 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -102.84 26.47 8.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.584 ' HD2' HG11 ' A' ' 88' ' ' VAL . 7.5 mttm -125.34 -42.39 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.724 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.7 t80 -28.85 141.35 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.71 0.767 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.724 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.8 -8.03 10.35 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.325 -0.044 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.514 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -32.18 -76.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.584 HG11 ' HD2' ' A' ' 84' ' ' LYS . 2.5 m -99.88 126.61 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.576 HD13 ' HD2' ' A' ' 90' ' ' PRO . 0.4 OUTLIER -42.46 160.88 0.18 Allowed Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.653 0.74 . . . . 0.0 110.913 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.59 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.1 Cg_endo -69.76 169.22 19.42 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.654 2.236 . . . . 0.0 112.345 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -111.03 66.18 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.483 HG21 HD21 ' A' ' 111' ' ' LEU . 69.8 mt -79.22 126.18 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 46.1 m -122.12 105.75 10.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.516 ' HB ' HD22 ' A' ' 107' ' ' LEU . 20.9 t -77.97 139.12 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -139.65 149.44 43.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.432 ' HB3' HD12 ' A' ' 99' ' ' LEU . 11.0 t -171.74 142.73 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.0 p -66.84 -34.22 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.621 HD11 ' CB ' ' A' ' 73' ' ' ALA . 13.1 mt -61.36 -52.28 65.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.432 HD12 ' HB3' ' A' ' 96' ' ' SER . 7.3 mt -55.47 174.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.8 t -127.06 161.44 28.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -43.73 -41.0 4.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.855 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 m -76.05 -68.92 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 104' ' ' GLN . 80.7 mm-40 -41.35 -63.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 103' ' ' GLN . 20.9 tp60 -36.15 -64.45 0.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 88.4 m -41.52 -63.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -44.94 -42.79 8.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 139' ' ' TYR . 9.6 tt -63.56 -42.97 98.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -57.32 -51.67 68.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 47.8 m -55.45 -61.51 2.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 111' ' ' LEU . 2.1 m-20 -46.86 -59.08 3.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.483 HD21 HG21 ' A' ' 92' ' ' ILE . 12.1 tp -34.01 -59.12 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.453 HG22 ' CG ' ' A' ' 116' ' ' GLN . 60.2 m -55.5 -54.47 43.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -38.48 -53.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -41.04 -61.97 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 128' ' ' ALA . 14.9 mt -61.07 -54.64 42.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.453 ' CG ' HG22 ' A' ' 112' ' ' THR . 24.5 mm-40 -35.66 -39.71 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -94.46 -65.02 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -53.28 -59.75 4.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 48.3 m -104.86 96.27 6.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -129.55 135.12 48.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 80.85 -8.81 55.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.7 175.93 5.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.87 0.367 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.67 HG12 ' CD2' ' A' ' 85' ' ' TYR . 34.3 m -113.58 115.47 49.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 3.6 m -156.82 106.91 2.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.736 HD11 HD21 ' A' ' 81' ' ' LEU . 19.4 mm -90.47 -41.54 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 12.9 mt -47.96 -44.05 30.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -45.34 -38.19 5.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.571 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -67.09 -60.0 2.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.08 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 78.0 p -51.79 -27.09 11.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -81.12 -24.98 37.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.629 ' CZ2' ' ND1' ' A' ' 135' ' ' HIS . 9.0 t90 -91.37 -20.77 21.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.489 HG21 HD21 ' A' ' 77' ' ' LEU . 24.5 t -84.11 -57.32 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.153 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.531 ' HA ' HD13 ' A' ' 65' ' ' LEU . 20.0 ptt180 -35.29 -33.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 132' ' ' VAL . 7.6 tp10 -91.31 -67.96 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.629 ' ND1' ' CZ2' ' A' ' 131' ' ' TRP . 4.6 m-70 -42.91 -53.17 4.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 140' ' ' VAL . . . -34.73 -68.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 136' ' ' ALA . 1.3 t -34.4 -39.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -67.65 -56.65 10.69 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 107' ' ' LEU . 79.4 m-85 -52.42 -20.45 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 0.0 110.933 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 136' ' ' ALA . 1.8 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 9' ' ' GLN . 12.8 pt-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.829 0.347 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.443 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 34.7 tt0 -39.74 -57.23 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.18 -51.94 39.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -59.93 -34.76 73.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.86 -50.81 70.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.408 ' NE2' ' HB3' ' A' ' 85' ' ' TYR . 60.5 mt-30 -71.61 -41.73 68.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 15' ' ' ALA . 30.4 tp -56.98 -64.88 0.73 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.99 -55.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.041 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -50.2 -44.95 53.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' LEU . 87.9 mt -58.5 -70.03 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -42.39 -42.78 3.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.678 HD23 ' HG2' ' A' ' 23' ' ' MET . 4.1 tt -59.02 -55.35 36.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.5 mt -50.38 -55.48 15.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.02 -45.75 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.8 m -77.37 -38.49 49.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.678 ' HG2' HD23 ' A' ' 19' ' ' LEU . 65.5 mmm -48.65 -38.79 22.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.449 ' HB3' ' CD ' ' A' ' 29' ' ' GLU . 94.8 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.683 0.754 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.77 0.319 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.449 ' CD ' ' HB3' ' A' ' 24' ' ' PHE . 2.2 pp20? -116.41 -39.14 3.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.773 HD12 HG12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -134.28 134.02 41.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.9 mp -130.61 129.15 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.5 p -104.87 99.52 8.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -52.65 -55.98 18.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -90.51 77.58 6.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -68.55 -41.57 79.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.8 tp -52.52 -43.7 65.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.31 -39.33 2.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.6 t -72.71 -57.23 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -45.77 -52.93 10.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.61 -40.39 94.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.9 tp -59.51 -51.76 68.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -49.24 -46.63 46.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 44' ' ' CYS . 8.8 t0 -55.85 -57.86 10.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 43' ' ' ASP . 76.0 m -35.69 -55.01 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 68.0 mt -46.18 -59.69 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.896 0.379 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -81.24 140.24 35.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 83.9 t -69.48 96.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.434 ' HE1' ' HB1' ' A' ' 78' ' ' ALA . 19.1 t80 -106.39 114.48 28.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 7.0 p90 -140.23 130.24 24.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 93.4 m -100.02 121.58 41.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.773 HG12 HD12 ' A' ' 30' ' ' LEU . 61.6 mt -98.69 125.92 51.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -98.73 121.82 41.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 36.6 mtp -127.68 109.77 12.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.2 p-10 -84.19 114.56 21.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.595 HD13 ' HA ' ' A' ' 133' ' ' ARG . 0.5 OUTLIER -140.54 162.55 35.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -78.66 151.86 32.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.499 HG12 HG21 ' A' ' 140' ' ' VAL . 20.5 m -123.64 -41.54 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.177 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 69' ' ' ASP . 1.6 t -175.41 179.58 1.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 68' ' ' SER . 15.9 m-20 33.8 54.2 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' ASP . 22.9 tt0 35.04 48.71 0.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.02 174.87 5.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.0 mtp -133.06 152.94 51.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.474 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -153.07 154.67 35.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 47.4 mtp -86.95 151.24 23.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.552 ' CZ ' ' HB1' ' A' ' 136' ' ' ALA . 25.9 m-85 -132.13 100.19 4.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.6 p -82.62 116.98 22.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.566 ' HG ' HG22 ' A' ' 94' ' ' VAL . 6.6 mp -108.65 94.83 5.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.434 ' HB1' ' HE1' ' A' ' 58' ' ' TYR . . . -71.92 98.75 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 2.7 m -100.0 130.73 46.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 89.9 mt -127.4 118.99 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.9 mt -95.71 107.51 34.2 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.608 0.718 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -176.77 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.256 . . . . 0.0 112.371 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -90.37 26.19 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.627 ' HB2' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -119.92 -49.75 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.718 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.7 t80 -28.36 142.07 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.667 0.746 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.718 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.7 Cg_endo -69.75 -2.44 7.13 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.321 -0.071 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.46 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -40.08 -73.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.627 HG22 ' HB2' ' A' ' 84' ' ' LYS . 2.8 m -104.11 127.23 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.428 HD11 ' HA ' ' A' ' 116' ' ' GLN . 53.4 mt -49.48 155.44 1.32 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.605 0.717 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.604 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.2 Cg_endo -69.77 168.98 20.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.71 2.273 . . . . 0.0 112.343 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -103.46 65.76 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.8 mt -70.81 110.3 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.144 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.436 ' CG2' ' HE ' ' A' ' 95' ' ' ARG . 89.3 m -111.45 102.96 11.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.566 HG22 ' HG ' ' A' ' 77' ' ' LEU . 61.7 t -73.23 135.67 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.436 ' HE ' ' CG2' ' A' ' 93' ' ' THR . 21.4 mmt180 -140.93 146.07 36.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 98' ' ' LEU . 4.6 t -174.1 131.17 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.472 HG13 HD23 ' A' ' 98' ' ' LEU . 7.4 p -37.5 -32.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.474 HD11 ' CB ' ' A' ' 73' ' ' ALA . 10.3 mt -66.66 -57.09 7.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.423 HD21 HG13 ' A' ' 140' ' ' VAL . 12.2 mt -74.84 126.02 30.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 66.9 m -110.7 -75.24 0.62 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.14 -75.02 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 70.3 m -52.54 -63.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.784 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.43 ' H ' ' CD ' ' A' ' 103' ' ' GLN . 12.4 mp0 -49.29 -56.13 10.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -55.4 -68.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 45.3 m -42.52 -48.41 5.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -57.58 -36.61 71.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.491 ' HA ' ' CZ ' ' A' ' 139' ' ' TYR . 9.7 tt -73.4 -55.28 6.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 24.9 m-20 -54.74 -46.98 74.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.2 m -47.16 -42.35 19.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 111' ' ' LEU . 1.9 m-20 -80.93 -53.83 6.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.45 ' CD2' HG23 ' A' ' 94' ' ' VAL . 12.0 tp -33.81 -51.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.713 HG22 ' OE1' ' A' ' 116' ' ' GLN . 24.7 m -67.01 -53.1 34.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -47.19 -50.14 21.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.055 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -42.03 -59.17 1.83 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.553 HD11 ' HB2' ' A' ' 128' ' ' ALA . 29.3 mt -63.69 -55.33 24.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.713 ' OE1' HG22 ' A' ' 112' ' ' THR . 39.5 mt-30 -34.44 -48.53 0.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -82.18 -64.37 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 18.4 m80 -43.93 -61.68 1.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.801 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.8 t -123.1 120.27 32.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -133.33 83.11 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 124.65 43.38 0.31 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -159.42 178.44 9.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.682 HG12 ' CE2' ' A' ' 85' ' ' TYR . 17.1 m -109.6 91.22 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 11.5 m -134.81 89.82 2.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 43.8 mm -82.69 -49.6 16.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.423 HD21 ' HE2' ' A' ' 23' ' ' MET . 3.1 mt -47.14 -47.27 23.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -40.63 -38.35 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.553 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -68.88 -54.4 15.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 73.3 p -53.35 -28.81 30.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -77.81 -20.46 53.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.722 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 27.9 t90 -92.1 -28.39 17.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 71.7 t -79.93 -50.51 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.595 ' HA ' HD13 ' A' ' 65' ' ' LEU . 5.5 ptm180 -44.64 -29.21 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -93.55 -67.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.722 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 8.7 m-70 -45.81 -48.61 15.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.618 ' O ' HG22 ' A' ' 140' ' ' VAL . . . -33.37 -71.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.547 ' HA ' HG23 ' A' ' 140' ' ' VAL . 11.7 m -36.87 -40.32 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -57.99 -59.48 10.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.491 ' CZ ' ' HA ' ' A' ' 107' ' ' LEU . 86.6 m-85 -58.2 -41.3 83.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.955 0.407 . . . . 0.0 110.94 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 136' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.088 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.824 0.345 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -52.57 -46.63 66.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.94 87.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' ALA . 42.7 mt-10 -64.89 -45.58 85.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . -35.97 -63.2 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -51.99 -54.26 31.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' ALA . 39.3 tp -49.55 -60.62 2.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.62 -57.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -51.84 -62.4 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt -45.52 -55.9 5.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 18' ' ' ASP . 30.3 t0 -51.33 -42.77 61.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.522 HD11 ' SD ' ' A' ' 23' ' ' MET . 8.5 tp -66.51 -59.22 3.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 19' ' ' LEU . 16.2 mt -36.33 -54.82 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.58 -48.3 28.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 p -69.91 -38.95 76.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.802 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.522 ' SD ' HD11 ' A' ' 19' ' ' LEU . 53.1 mmm -56.95 -41.92 79.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.497 ' CB ' ' OE1' ' A' ' 29' ' ' GLU . 92.3 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.794 0.331 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.497 ' OE1' ' CB ' ' A' ' 24' ' ' PHE . 2.3 pp20? -117.32 -38.79 3.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.446 ' O ' HD23 ' A' ' 30' ' ' LEU . 1.1 tt -144.04 129.88 19.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.2 mp -131.08 117.36 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.608 HG22 ' HB3' ' A' ' 59' ' ' PHE . 51.2 t -94.4 94.49 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -64.98 -51.5 61.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -75.52 64.35 1.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -66.91 -27.39 67.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.8 tp -64.06 -36.41 83.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.69 -50.64 72.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.071 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.656 HG12 ' HD2' ' A' ' 42' ' ' LYS . 90.2 t -59.73 -39.12 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.162 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.91 -41.33 77.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -65.0 -44.38 89.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.2 tp -60.07 -58.62 7.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.656 ' HD2' HG12 ' A' ' 38' ' ' VAL . 43.8 mttt -48.91 -40.28 29.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.945 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 44' ' ' CYS . 15.4 t0 -69.39 -54.65 13.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 43' ' ' ASP . 22.3 m -37.54 -56.88 0.99 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.1 mt -51.41 -46.2 34.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.926 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.7 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.948 0.404 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.4 ' HB3' HG23 ' A' ' 80' ' ' ILE . 14.0 mttm -72.6 153.68 41.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.3 t -83.38 97.46 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.076 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -96.5 126.08 41.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.608 ' HB3' HG22 ' A' ' 32' ' ' VAL . 13.9 p90 -153.54 131.53 11.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.1 m -98.86 150.0 22.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 53.0 mt -126.92 118.6 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -90.48 110.41 21.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 72.2 mtp -110.62 119.84 40.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.421 ' O ' HD23 ' A' ' 65' ' ' LEU . 4.4 m120 -88.54 121.49 30.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 64' ' ' ASN . 0.3 OUTLIER -148.49 148.41 30.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -73.78 147.0 43.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.675 ' HB ' HG11 ' A' ' 140' ' ' VAL . 21.2 m -122.79 -48.24 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.52 ' N ' HG23 ' A' ' 67' ' ' VAL . 5.3 t -175.22 170.54 3.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 71' ' ' LYS . 4.6 m-20 50.9 51.87 16.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 38.35 28.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 69' ' ' ASP . 24.8 mtpp -115.78 176.36 5.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.23 164.03 32.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.7 165.78 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 40.9 mtp -96.49 137.95 34.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -117.54 117.83 30.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.8 m -89.44 126.42 35.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.531 HD21 HG21 ' A' ' 132' ' ' VAL . 6.1 mp -117.89 93.95 4.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.967 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.74 94.26 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 52.5 m -95.57 115.54 27.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.4 HG23 ' HB3' ' A' ' 56' ' ' LYS . 78.2 mt -118.94 118.76 58.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.9 mt -91.88 118.89 68.49 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.629 0.728 . . . . 0.0 110.933 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -170.56 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.67 2.246 . . . . 0.0 112.366 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -89.11 -20.37 24.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.564 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 11.4 mttt -77.2 -45.81 25.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.752 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.5 t80 -26.38 141.46 0.05 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.633 0.73 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.752 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 54.0 Cg_endo -69.78 -10.47 11.54 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.334 -0.053 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.564 ' HB3' ' HB3' ' A' ' 84' ' ' LYS . . . -30.98 -76.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.548 HG22 ' HB2' ' A' ' 84' ' ' LYS . 2.1 m -98.43 125.14 51.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.499 ' CD2' ' HD2' ' A' ' 90' ' ' PRO . 13.5 mt -42.7 161.37 0.18 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.626 0.727 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.585 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.2 Cg_endo -69.79 -171.23 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.651 2.234 . . . . 0.0 112.33 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -126.35 59.39 1.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.1 mt -66.76 126.96 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.179 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.1 m -120.8 102.3 8.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.485 ' CG2' HD22 ' A' ' 111' ' ' LEU . 45.8 t -73.41 129.58 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -140.72 128.95 22.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.0 t -149.6 130.99 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 38.6 t -47.51 -36.89 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.56 HD22 HG11 ' A' ' 67' ' ' VAL . 6.7 mp -66.44 -54.71 21.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 97.9 mt -59.15 112.39 1.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.5 m -63.58 152.09 39.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -40.52 -47.21 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.6 p -68.62 -57.14 6.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -46.23 -62.14 1.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.624 HE22 HD22 ' A' ' 107' ' ' LEU . 17.3 tp60 -41.0 -55.77 2.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 88.9 m -41.37 -59.38 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.096 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -51.08 -45.92 61.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.624 HD22 HE22 ' A' ' 104' ' ' GLN . 9.1 tt -57.08 -58.54 7.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -45.78 -58.49 3.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.5 m -42.77 -39.82 2.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.54 -55.98 5.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.523 ' HA ' ' CZ3' ' A' ' 131' ' ' TRP . 21.6 tp -38.58 -53.75 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 86.8 m -60.98 -50.0 75.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -47.35 -52.38 16.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.405 ' CD1' ' CD1' ' A' ' 131' ' ' TRP . 8.9 t80 -39.9 -56.58 1.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.7 mt -60.43 -58.23 9.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -39.57 -35.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -78.27 -63.36 1.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -84.59 -66.66 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 77.9 m -79.4 93.91 5.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -135.33 121.02 19.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 73.52 39.44 49.98 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.24 156.79 31.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.681 ' O ' HG23 ' A' ' 123' ' ' VAL . 35.7 m -83.18 91.74 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 89.6 m -134.88 83.08 2.0 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 41.4 mm -83.86 -39.28 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.55 -47.48 86.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -42.44 -38.86 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.468 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -67.87 -51.81 43.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.071 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 60.4 p -54.63 -32.26 58.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -75.42 -32.14 60.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.592 ' CZ2' ' CD2' ' A' ' 135' ' ' HIS . 36.1 t90 -80.74 -15.78 55.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.531 HG21 HD21 ' A' ' 77' ' ' LEU . 54.1 t -81.31 -64.65 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -41.88 -23.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 132' ' ' VAL . 5.7 mm-40 -82.83 -66.51 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.592 ' CD2' ' CZ2' ' A' ' 131' ' ' TRP . 5.4 m-70 -59.51 -50.03 75.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.35 -70.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 59.1 p -41.78 -37.1 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -61.75 -50.54 65.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.484 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -62.94 -44.77 95.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.899 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.675 HG11 ' HB ' ' A' ' 67' ' ' VAL . 96.2 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 9' ' ' GLN . 12.0 pt-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.809 0.338 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.456 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 27.7 tt0 -43.45 -63.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -40.84 -44.02 2.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -66.08 -45.62 80.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.34 -49.93 2.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.416 ' NE2' ' HB3' ' A' ' 85' ' ' TYR . 37.0 mt-30 -70.71 -61.12 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 15' ' ' ALA . 56.7 tp -45.95 -64.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.96 -59.6 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.089 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -49.43 -53.88 20.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.798 HD21 ' CD1' ' A' ' 81' ' ' LEU . 58.2 mt -49.79 -65.32 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -40.47 -40.74 1.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 tp -68.85 -60.33 2.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.8 mt -38.68 -49.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.55 -47.64 14.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 m -76.24 -40.83 50.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 76.6 mmm -48.1 -36.36 13.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.671 0.748 . . . . 0.0 110.9 -179.908 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.764 0.316 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -95.68 -32.23 12.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.582 HD21 HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -142.58 137.45 30.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.4 mp -129.57 121.34 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.582 HG23 HD21 ' A' ' 30' ' ' LEU . 83.6 t -101.73 94.22 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.444 ' HB2' ' CD2' ' A' ' 58' ' ' TYR . 33.2 m-80 -62.42 -56.72 15.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.457 ' OD1' ' HB2' ' A' ' 37' ' ' ALA . 3.4 t0 -74.43 86.67 2.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -76.32 -47.42 23.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.1 tp -50.02 -45.26 51.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.457 ' HB2' ' OD1' ' A' ' 34' ' ' ASP . . . -41.7 -40.61 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 41' ' ' LEU . 93.0 t -78.1 -62.22 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -39.96 -42.28 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -76.1 -37.14 58.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' VAL . 53.9 tp -58.22 -39.59 79.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -60.63 -52.62 64.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -49.43 -49.94 42.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.7 t -42.61 -62.17 1.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.6 mt -54.39 -43.6 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.994 0.426 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -79.7 152.88 29.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.7 t -75.98 98.06 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.444 ' CD2' ' HB2' ' A' ' 33' ' ' ASN . 13.5 t80 -97.95 120.99 39.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -154.03 119.95 5.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.5 m -99.17 131.47 45.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.0 mt -103.44 129.38 55.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -102.05 116.48 32.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.446 ' C ' ' SD ' ' A' ' 74' ' ' MET . 56.5 mtp -118.94 120.56 37.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.453 ' N ' ' SD ' ' A' ' 74' ' ' MET . 1.7 p-10 -91.2 122.34 33.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.58 162.23 38.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -88.48 140.83 29.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.736 ' HB ' HG11 ' A' ' 140' ' ' VAL . 4.3 m -113.75 -46.34 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 t -171.96 -179.93 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 71' ' ' LYS . 75.9 m-20 43.65 50.57 6.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.827 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' ASP . 12.4 pt-20 34.39 33.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 69' ' ' ASP . 25.0 mtmt -109.34 165.7 11.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 29.5 mtp -127.89 154.83 45.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.785 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -148.45 169.81 19.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.453 ' SD ' ' N ' ' A' ' 64' ' ' ASN . 1.4 tpt -110.48 142.5 42.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -114.9 131.46 56.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.3 m -100.22 116.63 32.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.459 ' HG ' HG22 ' A' ' 94' ' ' VAL . 6.7 mp -108.81 92.81 4.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.85 93.78 2.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 50.9 t -99.27 136.06 39.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 91.2 mt -132.47 117.24 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.798 ' CD1' HD21 ' A' ' 17' ' ' LEU . 11.9 mt -92.87 117.86 67.7 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -173.53 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -92.8 -4.74 52.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.759 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 19.7 mtmm -91.14 -45.56 8.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.74 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.5 t80 -25.03 142.5 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.689 0.757 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.74 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.76 -10.92 11.73 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.344 -0.06 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.759 ' HB3' ' HB3' ' A' ' 84' ' ' LYS . . . -28.98 -76.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.059 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.754 HG11 ' CE ' ' A' ' 84' ' ' LYS . 2.9 m -101.31 127.29 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.0 mt -46.13 158.47 0.37 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.638 0.733 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.632 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.74 -169.18 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.646 2.231 . . . . 0.0 112.358 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -132.42 80.04 1.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.4 mt -90.12 140.61 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.9 m -134.63 100.99 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.459 HG22 ' HG ' ' A' ' 77' ' ' LEU . 49.6 t -73.13 124.89 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.152 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -136.06 130.28 33.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.8 t -148.84 119.9 7.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.7 m -42.22 -29.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.145 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.785 HD11 ' CB ' ' A' ' 73' ' ' ALA . 19.5 mt -61.02 -56.8 16.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.1 mt -68.91 158.06 35.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.473 ' H ' ' CG ' ' A' ' 103' ' ' GLN . 28.5 p -101.37 150.68 22.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.31 -20.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.6 m -80.2 -68.33 0.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.473 ' CG ' ' H ' ' A' ' 100' ' ' SER . 1.7 pt20 -58.56 -45.29 89.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -50.19 -37.07 33.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 79.1 m -54.76 -60.71 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -54.28 -44.42 71.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.592 HD12 ' CD2' ' A' ' 139' ' ' TYR . 9.8 tt -50.77 -50.73 55.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -51.08 -57.38 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 57.9 m -48.02 -55.23 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.172 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.74 -60.39 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.495 HD13 HG23 ' A' ' 132' ' ' VAL . 18.1 tp -39.01 -44.09 1.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 21.2 m -66.34 -53.28 38.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -41.02 -58.38 1.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.081 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.635 ' CG ' ' CD1' ' A' ' 131' ' ' TRP . 21.4 t80 -35.23 -62.95 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 116' ' ' GLN . 7.1 mt -57.93 -57.04 14.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 115' ' ' LEU . 28.0 mt-30 -35.19 -35.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 115' ' ' LEU . 28.3 tttt -96.59 -65.31 0.98 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -51.98 -62.59 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 8.8 m -107.84 103.22 12.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -126.6 87.41 2.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 109.66 39.32 1.62 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -153.02 169.56 22.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.892 0.377 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.645 ' O ' HG23 ' A' ' 123' ' ' VAL . 31.5 m -101.93 90.87 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 5.2 m -135.04 103.61 5.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.738 HD11 HD21 ' A' ' 81' ' ' LEU . 33.8 mm -95.96 -38.83 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 17.3 mt -57.52 -37.72 73.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -51.73 -39.76 58.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.37 -60.84 2.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.072 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 68.0 p -47.09 -46.16 22.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -60.77 -29.32 69.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.694 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 18.4 t90 -85.35 -19.44 31.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.495 HG23 HD13 ' A' ' 111' ' ' LEU . 50.8 t -87.28 -57.3 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 134' ' ' GLU . 8.5 ptt-85 -42.37 -29.91 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.443 ' N ' ' HG3' ' A' ' 133' ' ' ARG . 4.5 tm-20 -88.57 -67.65 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.694 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 13.5 m-70 -47.27 -52.76 15.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.76 -69.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.094 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 51.6 p -39.34 -37.63 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -61.63 -59.12 10.31 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.592 ' CD2' HD12 ' A' ' 107' ' ' LEU . 89.5 m-85 -53.23 -44.07 67.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.377 . . . . 0.0 110.934 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.736 HG11 ' HB ' ' A' ' 67' ' ' VAL . 67.9 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.797 0.332 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -71.66 -51.58 22.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.942 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.86 -29.11 69.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -78.76 -40.7 32.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -46.3 -46.33 17.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -67.38 -69.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.506 HD13 ' HG3' ' A' ' 42' ' ' LYS . 15.1 tp -40.23 -53.84 2.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -38.74 -54.53 1.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.7 -61.33 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.516 ' HA ' HD12 ' A' ' 20' ' ' LEU . 26.6 mt -41.66 -58.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -46.83 -42.2 16.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.1 tp -70.4 -42.61 71.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 17' ' ' LEU . 33.0 mt -54.0 -55.98 22.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.12 -43.98 3.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.4 m -78.23 -36.51 46.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 74.4 mmm -55.64 -33.27 63.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.681 0.753 . . . . 0.0 110.886 -179.925 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.768 0.318 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -92.99 -37.62 12.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.441 HD23 ' C ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -143.98 142.5 30.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mp -139.24 123.1 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.457 HG22 ' CB ' ' A' ' 59' ' ' PHE . 49.5 t -102.24 98.87 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -69.63 -48.52 59.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -84.6 98.67 10.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -88.75 -46.55 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' ' 36' ' ' LEU . 2.2 mm? -40.29 -59.46 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LEU . . . -36.9 -45.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.059 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' ALA . 90.5 t -70.43 -66.98 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.15 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' VAL . . . -36.6 -46.96 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.46 -51.01 67.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 27.1 tp -54.33 -50.93 66.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.506 ' HG3' HD13 ' A' ' 14' ' ' LEU . 8.7 mtpp -56.85 -52.77 63.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -55.7 -43.31 76.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 38.4 t -48.7 -64.2 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.4 mt -40.62 -45.16 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.914 0.388 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -78.7 152.46 31.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 42.7 t -78.37 97.25 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -96.99 128.02 43.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.971 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.496 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 3.8 p90 -158.34 127.46 5.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.0 m -93.99 141.29 28.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.1 mt -117.57 124.81 73.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.48 ' HB3' ' CE ' ' A' ' 74' ' ' MET . 31.1 m120 -102.39 121.18 41.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.598 ' HE3' ' HB3' ' A' ' 133' ' ' ARG . 15.9 mtm -121.83 118.18 28.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.447 ' C ' ' HG ' ' A' ' 65' ' ' LEU . 6.8 m-20 -81.68 115.87 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.549 HD13 ' HA ' ' A' ' 133' ' ' ARG . 1.0 OUTLIER -146.69 154.05 40.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -69.02 144.98 53.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.615 HG23 ' N ' ' A' ' 68' ' ' SER . 27.5 m -118.2 -52.72 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.615 ' N ' HG23 ' A' ' 67' ' ' VAL . 5.9 t -174.89 -174.99 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 68' ' ' SER . 1.4 m-20 34.98 51.23 0.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.438 ' HG2' ' C ' ' A' ' 69' ' ' ASP . 10.9 pt-20 41.51 46.17 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 68' ' ' SER . 1.3 ptmt -144.34 162.81 35.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.2 ptm -124.19 176.22 6.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.533 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -146.91 172.04 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.081 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.48 ' CE ' ' HB3' ' A' ' 62' ' ' ASN . 1.5 tpt -99.38 104.71 16.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.498 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 45.0 m-85 -89.83 111.31 22.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 55.3 m -93.77 118.47 31.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.7 mp -107.52 100.85 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.09 93.23 3.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 16.7 m -95.0 137.32 34.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 90.3 mt -140.08 124.9 19.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.183 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.518 HD23 ' HB3' ' A' ' 90' ' ' PRO . 18.4 mt -95.67 122.82 57.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.505 ' HG3' HG23 ' A' ' 88' ' ' VAL . 54.0 Cg_endo -69.8 -168.39 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.664 2.243 . . . . 0.0 112.35 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -93.98 -24.32 17.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.538 ' CB ' ' HB3' ' A' ' 87' ' ' ALA . 8.9 mttt -76.66 -37.74 55.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.775 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.6 t80 -28.68 142.14 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.677 0.751 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.775 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 54.1 Cg_endo -69.75 -7.31 9.88 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.377 -0.097 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.538 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -32.13 -77.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.505 HG23 ' HG3' ' A' ' 82' ' ' PRO . 1.9 m -97.2 125.05 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.448 ' CD2' ' HD2' ' A' ' 90' ' ' PRO . 15.2 mt -43.84 160.8 0.22 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.632 0.729 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.573 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.2 Cg_endo -69.76 177.03 5.99 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -117.43 78.62 1.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.418 ' CG2' HD21 ' A' ' 111' ' ' LEU . 59.0 mt -87.98 135.93 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 89.3 m -133.42 103.1 5.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.182 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.477 ' O ' ' NE2' ' A' ' 104' ' ' GLN . 13.9 t -74.85 127.58 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.408 ' HA ' ' NE2' ' A' ' 104' ' ' GLN . 9.7 mmt85 -131.22 144.07 51.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.7 t -167.95 140.14 3.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.442 HG13 HD23 ' A' ' 98' ' ' LEU . 2.8 p -60.02 -37.7 73.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.533 HD11 ' CB ' ' A' ' 73' ' ' ALA . 11.3 mt -58.38 -57.12 14.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.54 131.05 49.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.0 p -82.64 160.41 22.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -44.88 -47.12 11.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.4 m -67.39 -63.81 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -43.05 -56.92 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 94' ' ' VAL . 5.1 tp-100 -46.05 -47.98 16.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 62.5 m -43.08 -43.39 4.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.131 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.41 ' NE2' ' OD2' ' A' ' 110' ' ' ASP . 25.3 tp60 -68.15 -74.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.636 ' C ' HD23 ' A' ' 107' ' ' LEU . 5.0 tt -39.95 -51.11 2.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.463 ' N ' HD23 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -49.13 -50.76 35.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 86.1 m -66.54 -49.54 66.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.41 ' OD2' ' NE2' ' A' ' 106' ' ' GLN . 8.6 m-20 -50.01 -52.03 37.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.61 HD11 ' HB1' ' A' ' 128' ' ' ALA . 10.5 tp -41.14 -54.79 2.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 97.8 m -57.36 -55.5 33.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -42.86 -55.92 3.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 113' ' ' ALA . 16.6 t80 -37.02 -54.97 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 117' ' ' LYS . 69.6 mt -60.38 -58.99 6.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.427 ' HG2' ' CD1' ' A' ' 89' ' ' LEU . 11.4 mt-30 -39.39 -27.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 115' ' ' LEU . 0.1 OUTLIER -97.1 -66.67 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -60.69 -66.46 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 2.2 m -114.46 113.18 24.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -146.79 109.79 4.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 113.66 -14.15 22.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.46 166.85 11.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.796 0.331 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 123' ' ' VAL . 30.5 m -86.5 109.63 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.13 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 3.3 m -158.48 106.24 1.91 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 16.5 mm -94.79 -43.09 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 127' ' ' ASN . 12.0 mt -49.38 -57.03 7.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 126' ' ' LEU . 11.9 m120 -34.39 -37.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.61 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -71.61 -53.44 13.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.102 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 69.3 p -60.08 -16.91 35.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -84.32 -20.0 32.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.537 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 13.8 t90 -94.8 -25.89 16.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.58 HG23 HD13 ' A' ' 111' ' ' LEU . 42.2 t -81.01 -53.2 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.146 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.598 ' HB3' ' HE3' ' A' ' 63' ' ' MET . 5.4 ppt_? -39.72 -30.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -94.62 -65.44 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.537 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 5.0 m-70 -45.25 -50.76 11.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.498 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -33.67 -70.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 16.3 t -50.46 -37.37 38.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -51.41 -41.73 48.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' TYR . . . . . 0.429 ' CD2' HD12 ' A' ' 107' ' ' LEU . 97.0 m-85 -74.68 -51.24 14.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.912 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.543 HG11 ' HB ' ' A' ' 67' ' ' VAL . 61.0 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.817 0.342 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -63.55 -52.18 62.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.68 -37.32 63.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -73.9 -41.84 61.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -38.92 -52.42 1.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -68.9 -47.69 65.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.744 HD11 ' NZ ' ' A' ' 42' ' ' LYS . 37.3 tp -52.36 -63.51 1.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.09 -56.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -52.34 -43.03 64.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' LEU . 60.9 mt -65.83 -66.59 0.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -44.63 -48.71 10.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.557 HD23 ' HG2' ' A' ' 23' ' ' MET . 4.5 tt -55.54 -58.89 5.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 21' ' ' ALA . 29.2 mt -40.67 -55.22 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -37.29 -44.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.083 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t -75.79 -40.71 54.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.557 ' HG2' HD23 ' A' ' 19' ' ' LEU . 77.4 mmm -55.32 -30.29 59.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.7 0.762 . . . . 0.0 110.862 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.722 0.296 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -95.35 -58.53 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.527 HD21 HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -113.43 141.1 47.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.1 mp -133.25 124.15 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.563 HG22 ' CB ' ' A' ' 59' ' ' PHE . 67.7 t -105.88 94.12 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -61.31 -58.21 9.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.68 87.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -79.59 -51.26 9.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.4 tp -49.45 -47.42 48.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.0 -44.63 51.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.517 HG12 ' HE2' ' A' ' 42' ' ' LYS . 80.7 t -69.79 -47.5 69.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.91 -56.11 9.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.091 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -51.76 -47.21 64.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 41' ' ' LEU . 11.8 tp -48.75 -34.51 12.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.744 ' NZ ' HD11 ' A' ' 14' ' ' LEU . 1.7 mptp? -75.73 -66.06 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -42.64 -36.03 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 78.0 m -64.37 -51.02 65.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.4 mt -66.77 -44.41 89.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.933 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.4 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.911 0.386 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.624 ' HB3' HG23 ' A' ' 80' ' ' ILE . 17.8 mttp -80.87 135.2 35.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.8 t -59.35 95.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -101.73 124.01 46.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 10.9 p90 -155.57 121.59 5.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.5 m -91.23 143.25 26.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.8 mt -116.71 123.15 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.417 ' HB3' ' CE ' ' A' ' 74' ' ' MET . 31.0 m120 -97.42 107.51 20.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.48 ' HE3' HD11 ' A' ' 65' ' ' LEU . 19.3 mtm -110.31 122.03 46.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.431 ' HB2' ' CE ' ' A' ' 72' ' ' MET . 17.9 p30 -92.08 109.09 20.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.547 HD13 ' HA ' ' A' ' 133' ' ' ARG . 3.2 mt -129.52 147.52 51.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -76.78 128.72 35.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.599 HG23 ' N ' ' A' ' 68' ' ' SER . 22.6 m -106.34 -48.95 8.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.599 ' N ' HG23 ' A' ' 67' ' ' VAL . 15.1 p -169.56 172.41 7.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 71' ' ' LYS . 10.4 m-20 46.52 52.68 10.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 38.01 29.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -117.72 174.57 6.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.431 ' CE ' ' HB2' ' A' ' 64' ' ' ASN . 6.6 ptm -147.07 158.47 43.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.774 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -128.1 162.13 27.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.417 ' CE ' ' HB3' ' A' ' 62' ' ' ASN . 4.1 tpt -92.71 119.14 31.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.407 ' HZ ' HG21 ' A' ' 140' ' ' VAL . 14.8 m-85 -97.4 123.66 41.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.6 m -97.52 113.94 25.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.3 mp -108.92 93.88 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.959 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.98 94.98 1.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 12.3 m -93.02 122.79 35.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.624 HG23 ' HB3' ' A' ' 56' ' ' LYS . 96.0 mt -126.25 116.08 44.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.061 HD21 HD11 ' A' ' 125' ' ' ILE . 22.1 mt -99.04 117.21 64.6 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.58 0.705 . . . . 0.0 110.935 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -172.26 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.667 2.245 . . . . 0.0 112.371 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -86.48 -28.41 23.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.83 ' HE3' HG11 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -67.59 -45.87 74.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.809 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.1 t80 -27.89 142.48 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.699 0.761 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.809 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.75 -9.36 10.95 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.748 -1.772 . . . . 0.0 112.336 -0.056 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.554 ' HB3' ' HB3' ' A' ' 84' ' ' LYS . . . -31.63 -77.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.83 HG11 ' HE3' ' A' ' 84' ' ' LYS . 2.3 m -95.72 124.68 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 88' ' ' VAL . 0.7 OUTLIER -39.7 161.29 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.611 0.719 . . . . 0.0 110.885 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.584 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.4 Cg_endo -69.72 -169.64 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -133.26 64.13 1.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 78.3 mt -75.69 138.33 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 99.1 m -134.07 99.77 4.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.4 t -73.43 137.84 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 34.2 mmt-85 -147.45 137.65 23.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.55 ' HB3' HD12 ' A' ' 99' ' ' LEU . 7.8 t -151.5 137.24 17.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.1 m -59.04 -33.72 51.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.09 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.774 HD11 ' CB ' ' A' ' 73' ' ' ALA . 18.4 mt -64.81 -51.15 63.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.55 HD12 ' HB3' ' A' ' 96' ' ' SER . 9.8 mt -63.97 173.08 1.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 84.1 p -113.4 174.19 6.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -38.96 91.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.8 m -77.3 -59.43 2.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -48.81 -62.42 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.419 HE22 HD22 ' A' ' 107' ' ' LEU . 13.9 tp60 -38.54 -51.26 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 92.1 m -45.79 -64.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.158 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -39.88 -58.41 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.448 ' C ' HD23 ' A' ' 107' ' ' LEU . 8.8 tt -41.64 -53.6 3.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -53.32 -54.85 30.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 43.1 m -42.46 -37.81 1.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.545 ' HB3' ' CZ2' ' A' ' 131' ' ' TRP . 0.7 OUTLIER -80.43 -57.25 3.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.624 HD11 ' HB1' ' A' ' 128' ' ' ALA . 8.4 tp -36.69 -59.46 0.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 113' ' ' ALA . 27.6 m -57.05 -61.17 2.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 112' ' ' THR . . . -37.84 -51.07 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.458 ' CG ' ' CD1' ' A' ' 131' ' ' TRP . 27.4 t80 -39.6 -62.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 119' ' ' CYS . 10.3 mt -57.18 -61.91 2.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 115' ' ' LEU . 4.8 mt-30 -36.48 -34.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 115' ' ' LEU . 10.5 tptm -84.33 -64.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -68.73 -58.32 4.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 115' ' ' LEU . 60.7 m -97.38 100.59 12.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -123.9 126.67 46.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 71.21 40.37 61.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -151.37 -177.8 6.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 123' ' ' VAL . 32.1 m -118.44 91.96 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 2.6 t -129.04 99.82 5.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 1.061 HD11 HD21 ' A' ' 81' ' ' LEU . 25.0 mm -91.36 -32.9 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 127' ' ' ASN . 12.9 mt -60.89 -60.64 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 126' ' ' LEU . 20.2 t-20 -34.47 -35.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.624 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -66.73 -51.37 56.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.09 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 126' ' ' LEU . 43.6 p -61.92 -32.26 72.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.166 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -75.55 -22.44 57.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.639 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 40.0 t90 -89.38 -17.6 28.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 134' ' ' GLU . 17.8 t -88.21 -63.52 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.547 ' HA ' HD13 ' A' ' 65' ' ' LEU . 6.9 ptm180 -37.08 -29.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 132' ' ' VAL . 23.7 tt0 -88.86 -61.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.639 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 16.3 m-70 -54.23 -53.62 51.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.97 -66.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 136' ' ' ALA . 94.3 p -35.0 -43.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -57.21 -58.51 14.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.449 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -61.93 -52.51 63.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.943 0.401 . . . . 0.0 110.976 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.407 HG21 ' HZ ' ' A' ' 75' ' ' PHE . 97.1 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.16 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.736 0.303 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -43.45 -54.27 4.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.07 -44.81 64.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -65.4 -38.1 88.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -49.92 -51.09 43.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -70.73 -39.9 73.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 15' ' ' ALA . 33.9 tp -57.22 -65.21 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.75 -59.9 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.5 ' OE2' ' N ' ' A' ' 124' ' ' CYS . 25.2 tt0 -45.94 -50.51 14.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.644 HD21 HG11 ' A' ' 57' ' ' VAL . 54.5 mt -55.89 -69.59 0.14 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -43.28 -42.06 4.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 20' ' ' LEU . 4.8 tt -57.4 -65.62 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 23' ' ' MET . 10.8 mt -36.17 -58.63 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.13 -46.84 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.4 m -68.62 -42.74 77.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 20' ' ' LEU . 93.8 mmm -55.21 -35.52 64.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.655 0.741 . . . . 0.0 110.867 -179.935 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.9 p30 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.835 0.35 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -93.2 -40.91 10.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.458 HD21 HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -141.86 140.87 33.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.97 117.03 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.458 HG23 HD21 ' A' ' 30' ' ' LEU . 53.1 t -92.23 94.87 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -58.11 -56.1 26.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.18 105.23 9.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 32' ' ' VAL . 9.0 mp0 -94.35 -36.42 11.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.408 ' C ' HD23 ' A' ' 36' ' ' LEU . 8.6 tt -61.45 -45.1 95.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.37 -40.73 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.9 t -72.84 -48.36 45.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.29 -48.6 24.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.1 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -60.4 -47.41 86.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.8 tp -52.34 -44.68 65.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -71.45 -63.3 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -41.46 -32.5 0.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.9 m -69.83 -64.45 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.7 mt -51.08 -46.54 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.4 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.921 0.391 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -67.21 147.3 53.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.644 HG11 HD21 ' A' ' 17' ' ' LEU . 96.0 t -72.55 98.42 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -98.77 124.23 43.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -155.84 133.81 11.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 41.9 m -103.21 150.63 23.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.9 mt -123.6 122.38 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -94.43 109.71 21.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 54.4 mtp -111.02 112.84 24.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -88.05 111.88 22.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 133' ' ' ARG . 1.1 mt -131.88 155.77 47.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -82.17 118.67 23.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.958 ' HB ' HG11 ' A' ' 140' ' ' VAL . 26.7 m -91.78 -51.18 11.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . 0.618 ' N ' HG23 ' A' ' 67' ' ' VAL . 40.3 p -174.57 178.64 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 47.81 47.85 17.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 42.88 27.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -119.51 179.18 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.8 ptm -147.25 164.56 32.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.631 ' HB2' HD11 ' A' ' 98' ' ' LEU . . . -132.63 175.14 9.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.9 ttm -106.59 115.89 30.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.645 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 11.6 m-85 -96.52 114.14 25.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 m -93.45 114.32 26.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.806 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.44 HD22 HG22 ' A' ' 129' ' ' THR . 6.7 mp -104.71 96.21 6.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.951 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.439 ' HB3' ' HB ' ' A' ' 93' ' ' THR . . . -74.98 100.01 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 60.7 m -98.88 137.39 37.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 68.2 mt -138.99 113.71 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.157 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.769 HD21 HD11 ' A' ' 125' ' ' ILE . 36.7 mt -92.18 114.66 62.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.619 0.723 . . . . 0.0 110.956 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -172.75 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -88.04 -12.79 43.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.781 ' HB2' HG22 ' A' ' 88' ' ' VAL . 20.5 mmtt -80.01 -51.4 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.703 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.9 t80 -26.3 141.07 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.731 0.777 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.703 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.73 -12.4 12.12 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.384 -0.12 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.592 ' HB3' ' HB3' ' A' ' 84' ' ' LYS . . . -33.09 -73.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.781 HG22 ' HB2' ' A' ' 84' ' ' LYS . 3.2 m -99.48 122.13 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.666 HD11 ' HA ' ' A' ' 116' ' ' GLN . 8.3 mt -42.9 161.78 0.18 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.626 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.74 -175.22 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.376 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -128.24 59.92 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.1 mt -66.46 133.91 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.439 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 53.5 m -127.02 101.9 6.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.718 ' CG2' HD22 ' A' ' 111' ' ' LEU . 13.4 t -78.48 139.8 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -147.54 158.66 44.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.444 ' HB3' HD12 ' A' ' 99' ' ' LEU . 43.0 t -163.42 152.89 14.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 4.7 m -79.45 -7.88 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.631 HD11 ' HB2' ' A' ' 73' ' ' ALA . 39.6 mt -97.58 -43.29 7.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.444 HD12 ' HB3' ' A' ' 96' ' ' SER . 13.5 mt -72.58 139.2 47.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.4 p -80.05 153.37 28.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -27.95 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 m -79.22 -64.63 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -48.25 -56.53 7.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -44.13 -52.13 7.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 86.3 m -41.23 -49.16 3.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -56.11 -63.03 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.674 ' C ' HD23 ' A' ' 107' ' ' LEU . 5.7 tt -41.23 -35.27 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -69.7 -59.95 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 89.2 m -44.28 -31.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 111' ' ' LEU . 83.4 m-20 -88.67 -47.92 7.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.718 HD22 ' CG2' ' A' ' 94' ' ' VAL . 14.2 tp -36.45 -46.29 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 113' ' ' ALA . 5.3 m -68.24 -59.87 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 112' ' ' THR . . . -34.02 -46.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' PHE . . . . . 0.667 ' CG ' ' CD1' ' A' ' 131' ' ' TRP . 30.8 t80 -51.76 -64.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.003 HD11 ' HB2' ' A' ' 128' ' ' ALA . 13.6 mt -64.02 -24.77 67.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.666 ' HA ' HD11 ' A' ' 89' ' ' LEU . 9.5 tp60 -80.46 -23.79 39.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 113' ' ' ALA . 22.1 tptt -68.58 -56.38 8.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -103.27 -53.6 2.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' CYS . . . . . 0.462 ' C ' ' O ' ' A' ' 115' ' ' LEU . 13.3 m -75.61 52.48 0.65 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -76.0 93.65 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 98.86 -55.23 1.0 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.485 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -39.45 148.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.898 0.38 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 123' ' ' VAL . 19.5 m -80.72 111.79 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' CYS . . . . . 0.5 ' N ' ' OE2' ' A' ' 16' ' ' GLU . 16.8 m -161.91 105.77 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.769 HD11 HD21 ' A' ' 81' ' ' LEU . 24.5 mm -96.25 -30.71 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 128' ' ' ALA . 13.0 mt -59.82 -57.39 13.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.96 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.465 ' C ' HD21 ' A' ' 115' ' ' LEU . 5.4 m120 -36.53 -29.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 1.003 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -71.22 -57.29 4.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.44 HG22 HD22 ' A' ' 77' ' ' LEU . 67.2 p -55.22 -55.97 25.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -52.58 -23.66 6.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.667 ' CD1' ' CG ' ' A' ' 114' ' ' PHE . 4.6 t90 -88.34 -20.59 25.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' VAL . . . . . 0.459 HG23 HD13 ' A' ' 111' ' ' LEU . 20.9 t -85.86 -51.98 12.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.145 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.41 ' HA ' HD13 ' A' ' 65' ' ' LEU . 4.7 ptt180 -50.3 -28.49 7.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -87.82 -50.38 6.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' HIS . . . . . 0.532 ' ND1' ' CE2' ' A' ' 131' ' ' TRP . 9.1 m80 -67.68 -58.84 3.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ALA . . . . . 0.645 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -34.11 -63.96 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.058 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 136' ' ' ALA . 26.4 p -37.13 -44.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.62 -50.74 64.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -61.5 -44.15 97.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.961 0.41 . . . . 0.0 110.941 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.958 HG11 ' HB ' ' A' ' 67' ' ' VAL . 61.4 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.106 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 m -79.22 132.15 36.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.81 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 t -112.77 148.87 33.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.82 -160.51 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.491 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 m -107.69 141.16 39.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.932 0.396 . . . . 0.0 110.832 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.6 t -45.43 165.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.5 59.02 5.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -62.28 -33.37 74.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.361 . . . . 0.0 110.958 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -52.31 -51.3 59.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.2 -38.38 76.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -74.6 -29.83 61.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.21 -36.87 83.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.446 ' HB2' HD21 ' A' ' 41' ' ' LEU . 53.6 mt-30 -79.49 -60.1 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.1 tp -45.13 -53.59 7.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -39.99 -58.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 19' ' ' LEU . 12.1 tt0 -52.78 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.2 mt -38.73 -53.11 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -53.39 -39.54 64.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 16' ' ' GLU . 13.0 tp -69.34 -57.35 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' ALA . 25.5 mt -40.49 -57.46 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -35.75 -41.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t -75.41 -45.03 41.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' LEU . 97.3 mmm -50.95 -25.83 5.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -122.22 81.17 44.68 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.729 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -24.25 29.6 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.95 165.46 0.28 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -90.8 -33.65 15.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.952 0.406 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -117.66 46.06 1.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -106.52 -41.67 5.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.587 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -142.64 131.72 23.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.408 HD12 ' C ' ' A' ' 30' ' ' LEU . 4.6 mp -133.19 129.82 57.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.0 p -108.26 121.4 61.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.47 -39.87 18.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -95.32 79.03 3.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.1 tp60 -75.41 -38.57 59.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.1 tp -48.68 -43.32 36.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.32 -54.25 11.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.9 t -56.03 -51.47 61.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.42 -44.6 24.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.077 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -65.4 -34.63 78.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.446 HD21 ' HB2' ' A' ' 13' ' ' GLN . 10.4 tp -71.41 -25.86 62.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -83.6 -36.52 23.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -76.54 -43.26 39.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.836 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 9.9 p -49.57 -39.42 34.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.5 mt -65.98 -50.45 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -58.75 -51.57 69.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -70.82 -18.51 62.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.5 mttm 47.06 42.75 13.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 t -118.36 -9.16 10.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 40.67 43.56 1.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -133.98 87.23 2.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.98 -59.78 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.457 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -38.1 101.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.812 0.339 . . . . 0.0 110.92 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.5 t -112.29 -15.11 13.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 m -121.97 146.67 46.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -81.13 145.09 31.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -69.48 97.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -101.21 126.53 47.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 43.9 p90 -154.55 132.35 11.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.6 m -97.44 148.79 22.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.5 mt -123.53 116.69 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -93.07 115.71 28.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 34.5 mtp -118.08 123.72 46.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.548 ' HB3' ' HE1' ' A' ' 74' ' ' MET . 34.8 p-10 -87.01 113.97 23.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.702 HD13 ' HA ' ' A' ' 133' ' ' ARG . 0.3 OUTLIER -142.36 161.94 36.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -93.97 147.14 23.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.605 HG23 ' N ' ' A' ' 68' ' ' SER . 27.1 m -116.57 -51.76 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.605 ' N ' HG23 ' A' ' 67' ' ' VAL . 3.1 m -166.53 -179.44 4.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 45.11 41.23 5.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 41.6 35.68 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -113.0 164.25 13.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.451 ' HE2' ' HB2' ' A' ' 64' ' ' ASN . 18.3 mtp -122.56 159.3 28.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.675 ' CB ' HD21 ' A' ' 98' ' ' LEU . . . -154.91 159.49 40.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.548 ' HE1' ' HB3' ' A' ' 64' ' ' ASN . 2.2 tpt -91.84 141.17 28.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.801 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 9.3 m-85 -120.58 109.97 15.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.1 m -85.92 122.68 30.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.812 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.617 ' HG ' HG22 ' A' ' 94' ' ' VAL . 5.8 mp -114.89 93.5 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.25 93.36 1.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 30.4 m -92.94 133.56 35.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.8 mt -127.99 123.39 60.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.8 mt -97.51 111.7 59.23 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.578 0.704 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -179.49 2.98 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.331 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -90.63 27.35 1.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.848 ' HB2' HG22 ' A' ' 88' ' ' VAL . 4.2 mttm -125.12 -43.05 1.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.669 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.8 t80 -31.24 140.73 0.15 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.669 0.747 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.669 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.8 -8.66 10.7 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.381 -0.031 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.486 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -31.91 -73.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.848 HG22 ' HB2' ' A' ' 84' ' ' LYS . 10.4 m -109.13 130.75 61.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 43.5 mt -51.06 153.63 3.06 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.594 0.712 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.616 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.2 Cg_endo -69.74 176.8 6.28 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.711 2.274 . . . . 0.0 112.287 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -107.31 55.37 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.0 mt -59.85 118.15 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 89.8 m -120.18 103.06 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.617 HG22 ' HG ' ' A' ' 77' ' ' LEU . 11.0 t -76.81 135.32 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -142.48 141.91 32.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 98' ' ' LEU . 6.4 t -166.59 121.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.7 HG23 HD12 ' A' ' 98' ' ' LEU . 35.7 m -39.5 -29.27 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.104 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.7 HD12 HG23 ' A' ' 97' ' ' VAL . 8.8 mp -60.77 -55.85 28.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.437 HD13 HD13 ' A' ' 107' ' ' LEU . 13.0 mt -71.27 137.57 48.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 89.9 p -86.16 177.65 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -57.74 -48.63 79.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.8 m -61.47 -64.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 104' ' ' GLN . 33.0 mm-40 -49.74 -67.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 103' ' ' GLN . 16.0 tp60 -34.47 -49.97 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 52.1 m -50.9 -64.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -51.01 -46.86 61.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.437 HD13 HD13 ' A' ' 99' ' ' LEU . 9.2 tt -49.8 -61.51 2.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -49.84 -60.58 2.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 94.8 m -39.39 -36.83 0.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 111' ' ' LEU . 0.7 OUTLIER -76.79 -57.02 4.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.744 HD11 ' HB1' ' A' ' 128' ' ' ALA . 15.4 tp -37.48 -42.66 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.9 m -65.93 -51.84 55.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -49.1 -50.32 37.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 113' ' ' ALA . 14.0 t80 -36.04 -59.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 116' ' ' GLN . 12.1 mt -61.89 -57.58 11.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 115' ' ' LEU . 79.2 mt-30 -34.82 -34.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 115' ' ' LEU . 0.1 OUTLIER -93.54 -64.64 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -63.42 -65.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 60.4 m -97.88 105.56 17.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -134.92 111.13 9.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 85.63 36.13 10.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -151.89 166.83 30.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.572 ' O ' HG23 ' A' ' 123' ' ' VAL . 17.0 m -96.98 86.89 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 83.0 m -132.86 92.49 3.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.3 mm -89.31 -22.95 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 128' ' ' ALA . 56.7 mt -73.16 -51.51 17.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 126' ' ' LEU . 5.9 m120 -36.69 -29.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.744 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -77.31 -61.94 1.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.073 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 72.1 p -43.03 -32.39 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -74.72 -37.93 62.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.436 ' CE3' ' O ' ' A' ' 131' ' ' TRP . 38.7 t90 -72.96 -20.09 61.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 134' ' ' GLU . 39.4 t -80.95 -67.33 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.702 ' HA ' HD13 ' A' ' 65' ' ' LEU . 14.3 ptm180 -36.48 -31.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 132' ' ' VAL . 9.5 mt-10 -79.6 -61.43 2.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.453 ' O ' ' C ' ' A' ' 136' ' ' ALA . 14.7 m80 -64.97 -55.07 21.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.801 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -33.93 -68.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 14.9 m -40.65 -41.78 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -65.41 -50.37 55.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.47 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -51.43 -48.54 62.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.904 0.383 . . . . 0.0 110.893 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 10.8 t -56.15 122.3 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.129 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.4 t -119.4 112.61 19.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.804 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -126.65 120.67 30.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -122.82 87.8 2.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 4.2 t -123.0 25.42 8.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.0 t -153.95 112.94 3.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 79.8 p -100.77 159.5 15.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 25.0 t -90.07 164.49 14.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 75.9 84.16 0.42 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 141.14 44.51 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.637 2.225 . . . . 0.0 112.344 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 68.5 m -103.41 135.75 44.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 5.4 t -110.89 142.48 42.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.478 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 m -132.49 92.76 3.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 0.0 110.855 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 m -114.03 162.43 16.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.26 119.81 0.86 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 m -84.88 150.94 24.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 p -78.31 147.87 34.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.805 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.61 52.83 0.61 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -75.6 -63.19 1.35 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.911 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -40.82 -48.28 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.06 -40.19 30.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.072 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' ALA . 34.1 mt-10 -66.59 -51.52 55.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.507 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -35.3 -65.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -47.8 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.505 HD11 ' HE2' ' A' ' 42' ' ' LYS . 31.5 tp -40.89 -51.77 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -34.77 -67.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -47.78 -61.42 1.96 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.727 ' HA ' HD12 ' A' ' 20' ' ' LEU . 76.7 mt -41.34 -46.42 3.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -57.82 -43.95 86.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.1 tp -66.02 -46.1 79.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' A' ' 17' ' ' LEU . 9.0 mt -55.6 -63.34 1.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -36.52 -47.37 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -66.74 -44.29 81.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 62.4 mmm -55.21 -41.21 71.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.411 ' HA ' ' HD2' ' A' ' 25' ' ' PRO . 46.5 m-85 -103.26 100.35 17.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.624 0.726 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 53.8 Cg_endo -69.78 -42.73 3.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.26 . . . . 0.0 112.341 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 29' ' ' GLU . . . 168.38 -116.0 0.64 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 26' ' ' GLY . 38.8 tt0 33.72 53.9 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 50.83 43.94 28.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' GLY . 47.8 mm-40 -91.37 -64.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.518 HD21 HG23 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -134.48 139.32 45.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.1 mp -131.86 121.63 47.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.546 HG22 ' HB2' ' A' ' 59' ' ' PHE . 55.3 t -102.12 94.53 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -61.07 -52.85 63.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.514 ' O ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -75.03 133.47 41.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -123.96 -34.12 3.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -56.32 -63.52 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -38.05 -54.46 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.87 -56.01 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.95 -40.59 22.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -69.03 -43.81 73.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.0 tp -56.33 -52.43 64.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.505 ' HE2' HD11 ' A' ' 14' ' ' LEU . 11.0 mttm -58.43 -47.1 85.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -60.17 -39.88 87.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 78.0 m -54.21 -49.94 68.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.5 mt -56.93 -51.01 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -58.69 -49.5 77.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -70.39 -3.51 17.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.8 mttp 43.75 47.32 6.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.589 ' O ' HG23 ' A' ' 49' ' ' THR . 7.9 t -152.74 105.96 3.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.55 88.24 2.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -62.38 -55.07 31.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.7 91.48 0.19 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -52.2 135.45 32.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.0 t -105.96 -39.46 6.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.1 m -107.95 133.33 52.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.444 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 3.9 mtmp? -77.63 145.17 36.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.7 t -65.34 106.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -100.77 126.12 47.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.546 ' HB2' HG22 ' A' ' 32' ' ' VAL . 18.9 p90 -157.93 128.21 6.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 74.9 m -95.87 151.33 19.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.454 HG12 HD12 ' A' ' 30' ' ' LEU . 22.7 mt -124.5 116.66 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -92.83 125.66 37.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 41.5 mtp -131.63 114.18 14.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -84.02 123.99 30.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.552 HD13 ' HA ' ' A' ' 133' ' ' ARG . 1.4 mt -143.74 148.01 35.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -75.34 134.67 40.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.623 HG23 ' N ' ' A' ' 68' ' ' SER . 34.4 m -107.31 -51.44 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.623 ' N ' HG23 ' A' ' 67' ' ' VAL . 2.4 m -174.52 177.23 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.0 t0 49.96 36.38 11.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 52.58 29.5 7.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -119.52 175.69 5.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.7 ptm -144.92 168.03 21.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.614 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -142.66 169.7 17.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.8 ttm -98.56 134.34 41.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -114.77 112.55 22.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 66.0 m -90.69 113.05 25.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.46 ' HG ' HG22 ' A' ' 94' ' ' VAL . 5.4 mp -103.56 95.97 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.664 ' HB3' ' HB ' ' A' ' 93' ' ' THR . . . -72.07 93.27 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 31.0 m -93.43 137.64 32.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.444 ' CG2' ' HB3' ' A' ' 56' ' ' LYS . 56.8 mt -139.46 123.41 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.413 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 59.4 mt -90.95 113.92 59.73 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.588 0.709 . . . . 0.0 110.972 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.8 178.29 4.74 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.391 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -90.88 26.92 1.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.859 ' HB2' HG22 ' A' ' 88' ' ' VAL . 4.9 mttt -126.74 -41.74 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.666 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 3.1 t80 -33.21 140.76 0.22 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.68 0.752 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.666 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.78 -9.37 11.01 Favored 'Cis proline' 0 C--N 1.342 0.221 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.335 -0.058 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.482 ' HB3' ' C ' ' A' ' 84' ' ' LYS . . . -31.09 -70.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.859 HG22 ' HB2' ' A' ' 84' ' ' LYS . 8.2 m -112.41 128.87 68.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.2 mp -42.91 158.24 0.23 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.633 0.73 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.596 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.85 -166.82 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -131.98 73.93 1.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.1 mt -80.96 136.13 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.664 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 95.2 m -124.61 113.52 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.191 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.46 HG22 ' HG ' ' A' ' 77' ' ' LEU . 21.9 t -91.09 119.44 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -130.71 143.46 50.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.6 t -159.46 140.55 12.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.542 HG13 HD23 ' A' ' 98' ' ' LEU . 9.8 p -58.29 -30.25 39.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.614 HD11 ' CB ' ' A' ' 73' ' ' ALA . 13.0 mt -69.39 -55.32 10.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.423 ' CD1' ' OE1' ' A' ' 104' ' ' GLN . 8.0 mt -70.18 150.27 46.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.453 ' H ' ' CG ' ' A' ' 103' ' ' GLN . 3.4 m -104.72 160.84 14.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -49.26 -33.06 11.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 t -66.14 -69.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.453 ' CG ' ' H ' ' A' ' 100' ' ' SER . 0.8 OUTLIER -58.88 -52.15 66.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.952 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.423 ' OE1' ' CD1' ' A' ' 99' ' ' LEU . 28.3 tp60 -43.69 -45.07 6.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 51.3 m -58.23 -46.0 86.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.9 tp60 -61.6 -43.82 98.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.503 HD12 ' CD2' ' A' ' 139' ' ' TYR . 9.0 tt -58.81 -53.5 57.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -50.71 -59.62 3.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 58.4 m -43.61 -35.37 1.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.47 -50.12 14.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.706 HD11 ' HB1' ' A' ' 128' ' ' ALA . 27.3 tp -45.93 -47.43 16.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.0 m -66.19 -45.89 79.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.26 -49.74 68.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.134 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.52 ' CG ' ' CD1' ' A' ' 131' ' ' TRP . 3.9 t80 -41.21 -53.53 3.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.8 mt -66.02 -47.52 74.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -46.58 -21.63 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.8 tppt? -95.74 -64.71 1.03 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -75.62 -66.55 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 62.7 m -83.56 94.42 8.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -136.88 130.88 32.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 70.7 35.62 66.86 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -154.89 -178.26 7.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 123' ' ' VAL . 35.3 m -111.51 104.4 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 7.5 m -152.69 104.99 2.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 28.7 mm -93.75 -55.07 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mt -42.91 -44.95 4.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -39.33 -38.78 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.706 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -70.3 -44.62 67.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 64.8 p -59.49 -36.0 75.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -75.9 -17.24 59.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.601 ' CE3' ' O ' ' A' ' 131' ' ' TRP . 11.8 t90 -94.13 -18.2 22.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.506 HG23 HD13 ' A' ' 111' ' ' LEU . 41.6 t -86.62 -57.38 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.552 ' HA ' HD13 ' A' ' 65' ' ' LEU . 15.2 ptm180 -43.3 -29.79 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -85.95 -67.82 0.78 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.544 ' ND1' ' CE2' ' A' ' 131' ' ' TRP . 15.6 m80 -51.55 -53.12 41.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.65 -69.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.057 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 136' ' ' ALA . 74.5 p -36.02 -43.03 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -59.73 -48.74 84.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.503 ' CD2' HD12 ' A' ' 107' ' ' LEU . 82.1 m-85 -62.96 -52.5 62.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.942 0.401 . . . . 0.0 110.939 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.476 HG11 ' HB ' ' A' ' 67' ' ' VAL . 78.9 t -42.21 103.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.161 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.9 m -129.3 146.14 51.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -136.76 141.38 42.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -166.12 116.78 1.0 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 40.1 p -82.53 89.85 6.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.176 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 36.6 t -118.3 81.48 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 27.1 p -168.62 150.23 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 37.7 t -145.9 140.14 26.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 53.9 70.09 1.04 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -40.15 5.78 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.721 2.281 . . . . 0.0 112.358 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 5.5 m -152.77 161.76 42.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 9.1 t -161.84 177.16 10.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.825 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -147.63 160.01 43.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.4 m -56.5 169.1 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.98 -52.16 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.54 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.0 p -137.13 119.35 15.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.834 0.35 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 t -85.86 -61.02 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.21 59.55 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -65.13 -25.37 67.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -47.03 -42.99 19.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.16 -42.69 86.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' ALA . 39.1 mt-10 -64.39 -54.54 31.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.655 ' O ' HG11 ' A' ' 123' ' ' VAL . . . -37.65 -39.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -74.35 -63.94 1.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.594 ' HA ' HD12 ' A' ' 17' ' ' LEU . 36.3 tp -45.92 -56.2 5.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.87 -53.61 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -60.25 -61.83 2.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 14' ' ' LEU . 13.5 mt -42.75 -54.0 4.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -51.43 -42.44 61.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.5 tp -66.54 -50.82 61.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 23' ' ' MET . 43.7 mt -50.8 -61.2 2.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -37.03 -42.11 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.1 m -79.92 -39.39 30.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 20' ' ' LEU . 73.7 mmm -50.38 -45.0 55.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.492 ' CB ' ' CD ' ' A' ' 29' ' ' GLU . 55.0 m-85 -104.47 93.39 5.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.665 0.745 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 53.9 Cg_endo -69.74 -31.17 21.12 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.283 . . . . 0.0 112.359 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -40.73 158.4 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -83.08 -47.52 11.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.889 0.376 . . . . 0.0 110.927 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -105.58 57.35 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.492 ' CD ' ' CB ' ' A' ' 24' ' ' PHE . 2.4 pp20? -117.22 -38.74 3.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.578 ' O ' HD23 ' A' ' 30' ' ' LEU . 1.6 tt -144.0 123.58 13.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mp -123.68 118.12 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.792 HG22 ' HB3' ' A' ' 59' ' ' PHE . 43.2 t -98.03 98.22 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -66.51 -44.97 81.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -78.32 98.56 5.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 32' ' ' VAL . 8.9 mp0 -88.78 -36.65 15.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 tp -59.04 -40.51 85.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.95 69.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.058 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -82.19 -54.06 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.84 -43.88 39.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -68.18 -42.86 79.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.8 tp -56.36 -45.7 80.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -57.07 -51.06 70.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -58.32 -56.62 19.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.3 m -38.51 -49.11 1.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 80.6 mt -59.36 -57.76 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -50.28 -44.9 54.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -73.83 -25.2 59.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt 61.61 40.24 13.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.418 ' O ' HG23 ' A' ' 49' ' ' THR . 14.2 t -130.76 40.98 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -50.6 102.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -100.77 -33.67 10.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 145.54 100.15 0.28 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.473 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -52.72 168.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 t -134.28 21.67 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.8 m -147.51 123.71 10.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.829 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 mttp -79.7 136.49 36.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.2 t -70.03 101.63 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.529 ' HE1' ' HB1' ' A' ' 78' ' ' ALA . 18.6 t80 -106.9 119.04 38.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.792 ' HB3' HG22 ' A' ' 32' ' ' VAL . 21.0 p90 -149.45 130.16 14.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 96.9 m -97.69 148.5 23.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.421 HG22 ' HG3' ' A' ' 63' ' ' MET . 62.8 mt -122.99 120.22 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -92.53 110.39 21.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.421 ' HG3' HG22 ' A' ' 61' ' ' ILE . 39.2 mtp -117.44 115.24 24.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.445 ' N ' ' SD ' ' A' ' 74' ' ' MET . 25.1 p30 -86.7 115.07 23.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.447 ' CD1' ' HA ' ' A' ' 133' ' ' ARG . 0.4 OUTLIER -140.78 162.15 36.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -82.26 145.59 29.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.63 ' HB ' HG11 ' A' ' 140' ' ' VAL . 3.7 m -126.87 -47.91 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -166.0 179.22 5.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.828 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 70' ' ' GLU . 19.3 m-20 45.45 43.01 8.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 69' ' ' ASP . 13.5 tt0 37.06 36.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -117.4 170.45 8.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.8 mtp -121.08 158.43 27.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.917 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -154.53 159.3 40.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.445 ' SD ' ' N ' ' A' ' 64' ' ' ASN . 1.6 tpt -96.95 151.22 19.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -126.91 131.66 51.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -96.31 112.23 24.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.838 ' HG ' HG22 ' A' ' 94' ' ' VAL . 5.2 mp -106.6 92.71 4.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.529 ' HB1' ' HE1' ' A' ' 58' ' ' TYR . . . -75.5 95.67 3.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 44.3 t -97.55 115.68 28.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 85.4 mt -113.29 125.7 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.516 HD11 HD21 ' A' ' 17' ' ' LEU . 35.6 mt -94.57 118.87 66.87 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.648 0.737 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -170.56 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.322 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -99.12 24.86 7.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.614 ' HB2' HG22 ' A' ' 88' ' ' VAL . 6.9 mttp -124.28 -38.6 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.678 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 3.0 t80 -33.88 140.89 0.24 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.686 0.755 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.678 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.79 -10.23 11.45 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 -1.804 . . . . 0.0 112.331 -0.03 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.488 ' C ' ' O ' ' A' ' 86' ' ' PRO . . . -30.56 -72.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.614 HG22 ' HB2' ' A' ' 84' ' ' LYS . 2.9 m -109.0 127.58 65.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 29.2 mt -46.38 158.04 0.41 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.605 0.717 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.612 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.2 Cg_endo -69.81 -173.02 0.65 Allowed 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.725 2.283 . . . . 0.0 112.311 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -125.48 62.81 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 43.2 mt -68.51 135.02 29.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.8 m -125.95 98.94 5.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.838 HG22 ' HG ' ' A' ' 77' ' ' LEU . 75.8 t -76.13 133.75 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -145.02 158.02 43.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.1 t -169.34 121.46 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.6 t -41.79 -37.57 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.917 HD11 ' CB ' ' A' ' 73' ' ' ALA . 4.7 mt -56.02 -56.58 19.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.6 mt -58.83 178.52 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 102' ' ' SER . 49.2 m -122.83 140.12 53.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 100' ' ' SER . 15.0 tpt180 -35.95 -30.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 100' ' ' SER . 4.1 m -82.48 -56.19 4.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -52.11 -58.11 7.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.457 ' OE1' ' ND2' ' A' ' 108' ' ' ASN . 4.5 tp-100 -44.87 -49.32 10.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 57.7 m -41.01 -39.9 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -72.7 -42.06 64.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.517 HD22 ' HB ' ' A' ' 94' ' ' VAL . 10.3 tt -54.64 -54.21 44.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.457 ' ND2' ' OE1' ' A' ' 104' ' ' GLN . 16.0 m-80 -53.73 -60.92 2.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 85.5 m -38.59 -35.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 111' ' ' LEU . 1.8 m-20 -82.69 -54.17 5.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.747 HD13 ' CG2' ' A' ' 132' ' ' VAL . 12.6 tp -35.56 -62.44 0.4 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 113' ' ' ALA . 26.3 m -53.89 -58.4 7.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -37.13 -57.23 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.151 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 113' ' ' ALA . 5.7 t80 -36.96 -52.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.1 mt -66.05 -51.95 53.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -49.07 -19.94 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -87.42 -65.0 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -86.39 -66.62 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.821 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.45 ' SG ' ' CB ' ' A' ' 124' ' ' CYS . 98.2 m -76.43 90.23 3.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -133.27 105.76 7.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 96.81 -0.42 60.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.535 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -121.38 158.59 27.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.655 HG11 ' O ' ' A' ' 12' ' ' ALA . 3.5 m -82.22 95.12 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.45 ' CB ' ' SG ' ' A' ' 119' ' ' CYS . 88.2 m -134.33 87.95 2.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 125' ' ' ILE . 18.6 mm -88.05 -39.92 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.27 -47.48 85.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -39.94 -32.34 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.415 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -75.08 -58.86 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 77.6 p -52.27 -21.38 3.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -88.11 -33.27 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.677 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 5.2 t90 -82.88 -18.25 40.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.747 ' CG2' HD13 ' A' ' 111' ' ' LEU . 19.5 t -87.04 -49.85 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.447 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 15.1 ptp180 -45.49 -25.89 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -95.19 -67.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.677 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 6.1 m-70 -44.24 -45.25 8.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.825 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -42.32 -66.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.05 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 19.8 t -53.77 -17.13 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -75.2 -25.09 69.48 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -94.77 -18.51 21.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.949 0.404 . . . . 0.0 110.965 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.63 HG11 ' HB ' ' A' ' 67' ' ' VAL . 5.4 t -89.59 0.22 8.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 10.8 m -78.01 -44.68 25.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.55 156.7 8.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -87.37 104.67 16.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 13.9 t -164.02 141.48 7.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.165 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.7 p -99.64 -42.73 6.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 58.7 m -54.49 -49.84 69.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 9.5 m -94.68 158.73 15.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLY . . . . . 0.445 ' N ' ' HD2' ' A' ' 149' ' ' PRO . . . 151.31 -60.98 0.41 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 148' ' ' GLY . 54.1 Cg_endo -69.72 -3.39 11.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 32.2 m 61.43 50.28 4.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 25.4 m -85.84 -48.03 9.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m -40.72 152.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.362 . . . . 0.0 110.851 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 p -108.67 105.54 15.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.88 165.25 15.08 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -57.82 139.7 53.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.344 . . . . 0.0 110.861 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -62.13 -45.49 93.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.32 59.07 11.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -86.77 -35.34 19.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 11' ' ' GLU . 1.1 tp-100 -51.73 -55.64 18.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' GLN . . . -34.95 -33.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 9' ' ' GLN . 41.1 mt-10 -75.91 -50.5 14.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.53 ' O ' HG11 ' A' ' 123' ' ' VAL . . . -35.23 -44.81 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -71.81 -46.61 57.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.694 HD11 ' HD2' ' A' ' 42' ' ' LYS . 58.6 tp -59.16 -57.05 14.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.84 -55.32 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -60.42 -60.53 3.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.0 mt -42.33 -51.57 4.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -52.86 -41.89 64.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.4 tp -68.85 -56.96 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.0 mt -41.76 -57.15 2.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.25 -41.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -78.49 -45.89 20.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 73.3 mmm -44.93 -39.1 5.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -107.94 77.67 0.69 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 26' ' ' GLY . 54.1 Cg_endo -69.74 -22.63 31.92 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.411 ' HA3' ' CG ' ' A' ' 29' ' ' GLU . . . -35.99 142.37 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.494 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -57.98 -41.86 83.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -129.32 45.29 2.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.411 ' CG ' ' HA3' ' A' ' 26' ' ' GLY . 14.0 mm-40 -89.67 -57.46 2.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.504 HD23 ' C ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -116.16 145.63 42.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.95 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mp -141.38 118.8 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.455 HG22 ' HB3' ' A' ' 59' ' ' PHE . 52.9 t -93.91 96.38 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -55.94 -52.35 64.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -86.32 86.59 7.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -66.81 -48.93 67.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 37' ' ' ALA . 9.8 tp -52.57 -46.72 67.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' LEU . . . -37.29 -43.89 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.054 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.794 HG12 ' HE2' ' A' ' 42' ' ' LYS . 99.5 t -76.08 -58.05 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.81 -46.37 3.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.6 -37.27 85.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.457 ' CD2' ' HB2' ' A' ' 14' ' ' LEU . 15.0 tp -55.55 -37.25 67.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.794 ' HE2' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -73.52 -54.3 8.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.856 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -46.85 -39.42 11.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.7 m -61.89 -52.99 61.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.0 mt -62.6 -50.23 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -57.76 -47.43 82.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -67.38 -24.12 65.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt 58.39 44.14 18.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.2 t -126.05 -26.72 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 18.1 mmt 54.63 50.42 15.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -47.01 -48.13 22.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.45 99.91 1.53 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.586 ' HG3' ' CD1' ' A' ' 83' ' ' PHE . 1.8 ptp85 -55.71 145.74 23.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.319 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.9 t -109.38 -35.61 6.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.5 m -98.43 103.68 15.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.403 ' HB3' HG23 ' A' ' 80' ' ' ILE . 1.5 mtmp? -50.74 154.85 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.8 t -83.18 103.54 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.425 ' HE1' ' HB1' ' A' ' 78' ' ' ALA . 16.8 t80 -112.6 113.5 25.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.606 ' CE2' ' SG ' ' A' ' 79' ' ' CYS . 9.9 p90 -133.71 126.45 30.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.6 m -89.28 137.1 32.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.0 mt -117.36 125.13 73.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -97.57 114.29 26.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.6 mtm -118.26 108.63 15.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -80.02 129.53 34.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.64 153.74 40.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -86.28 119.67 26.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.607 HG23 ' N ' ' A' ' 68' ' ' SER . 33.8 m -90.87 -50.49 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.607 ' N ' HG23 ' A' ' 67' ' ' VAL . 2.2 m -173.75 175.97 2.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 71' ' ' LYS . 49.7 m-20 47.06 53.34 10.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' ASP . 4.2 mm-40 38.23 27.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -116.76 173.84 6.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.5 ptm -145.45 -177.82 5.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.523 ' HB2' HD11 ' A' ' 98' ' ' LEU . . . -148.96 177.68 9.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.2 ttm -116.26 108.19 15.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -91.91 135.71 33.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 56.2 m -112.5 105.58 13.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.897 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.469 HD22 HG22 ' A' ' 129' ' ' THR . 7.8 mp -90.37 92.75 9.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.425 ' HB1' ' HE1' ' A' ' 58' ' ' TYR . . . -75.74 100.9 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.606 ' SG ' ' CE2' ' A' ' 59' ' ' PHE . 15.0 p -103.18 149.13 24.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.403 HG23 ' HB3' ' A' ' 56' ' ' LYS . 70.3 mt -140.51 110.89 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.432 HD23 ' HB3' ' A' ' 90' ' ' PRO . 61.4 mt -80.03 112.38 29.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.408 ' HG3' HG23 ' A' ' 88' ' ' VAL . 53.7 Cg_endo -69.75 -178.91 2.56 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.761 2.308 . . . . 0.0 112.339 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.586 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 13.4 m-85 -90.27 27.04 1.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.722 ' HB2' HG22 ' A' ' 88' ' ' VAL . 1.1 mtpp -127.54 -42.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.698 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 3.2 t80 -28.27 141.34 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.68 0.752 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.698 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.6 Cg_endo -69.81 -7.94 10.32 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.325 -0.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.532 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -30.32 -72.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.722 HG22 ' HB2' ' A' ' 84' ' ' LYS . 15.6 m -110.45 128.77 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.463 HD13 ' HB2' ' A' ' 115' ' ' LEU . 57.0 mt -48.04 156.06 0.79 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.719 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.608 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.74 -179.85 3.19 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.257 . . . . 0.0 112.363 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -111.31 66.02 0.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.8 mt -70.95 125.79 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 89.4 m -123.18 103.73 8.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.41 HG22 ' HG ' ' A' ' 77' ' ' LEU . 37.5 t -76.82 131.94 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -134.38 143.04 47.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.4 t -164.66 127.31 2.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.529 HG23 HD23 ' A' ' 98' ' ' LEU . 33.3 m -52.5 -23.79 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.529 HD23 HG23 ' A' ' 97' ' ' VAL . 13.6 mt -73.83 -51.41 16.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.637 HD11 HD13 ' A' ' 107' ' ' LEU . 76.8 mt -63.71 135.15 56.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.6 t -82.32 171.98 13.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.9 mtp85 -55.43 -41.36 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.8 m -74.91 -64.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -42.0 -59.29 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -40.39 -52.65 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 90.1 m -47.65 -58.04 4.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -52.38 -45.34 65.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.637 HD13 HD11 ' A' ' 99' ' ' LEU . 9.9 tt -54.27 -58.57 6.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -55.16 -60.49 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 75.4 m -40.44 -42.38 1.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.82 -55.42 11.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.573 HD11 ' HB1' ' A' ' 128' ' ' ALA . 13.7 tp -42.5 -55.52 3.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 75.7 m -56.27 -44.36 79.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -55.12 -49.4 71.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -38.89 -63.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.503 HD11 ' HB2' ' A' ' 128' ' ' ALA . 10.3 mt -58.13 -57.41 12.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 115' ' ' LEU . 33.6 mm-40 -34.79 -36.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.942 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 115' ' ' LEU . 6.7 ttmm -96.19 -65.14 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -51.82 -62.19 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.826 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.8 m -119.23 111.98 18.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -132.16 96.99 4.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 112.13 35.21 1.84 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.535 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -157.89 171.96 19.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 123' ' ' VAL . 34.0 m -99.89 94.4 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.429 ' HB3' ' CG ' ' A' ' 127' ' ' ASN . 64.0 m -134.79 56.58 1.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 90' ' ' PRO . 31.3 mm -57.73 -43.34 83.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.6 mt -52.8 -40.02 62.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.429 ' CG ' ' HB3' ' A' ' 124' ' ' CYS . 2.1 m-20 -55.63 -35.19 65.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.573 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -67.64 -52.22 40.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.469 HG22 HD22 ' A' ' 77' ' ' LEU . 69.0 p -58.81 -33.61 70.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.156 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -69.48 -17.68 63.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.661 ' CZ2' ' CE1' ' A' ' 135' ' ' HIS . 12.4 t90 -90.66 -26.05 19.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.482 ' CG2' HD22 ' A' ' 111' ' ' LEU . 70.9 t -84.97 -51.91 13.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 134' ' ' GLU . 22.3 ptt180 -38.5 -32.12 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.439 ' N ' ' HG3' ' A' ' 133' ' ' ARG . 49.5 tp10 -94.37 -67.58 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.661 ' CE1' ' CZ2' ' A' ' 131' ' ' TRP . 18.1 m-70 -43.51 -50.72 7.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -34.13 -69.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.3 m -43.97 -37.1 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -58.07 -54.6 36.23 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.405 ' CD2' HD12 ' A' ' 107' ' ' LEU . 92.3 m-85 -59.25 -48.38 81.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.932 0.396 . . . . 0.0 110.946 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.504 HG11 ' HB ' ' A' ' 67' ' ' VAL . 60.4 t -49.89 103.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 17.6 m -141.44 108.63 5.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.441 ' NH2' ' OD2' ' A' ' 69' ' ' ASP . 52.4 mtm180 -83.34 -46.21 12.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 142' ' ' ARG . 24.3 t70 35.02 40.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 9.2 t -95.99 33.85 1.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 96.9 p -137.97 150.0 46.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.7 t -100.04 41.46 1.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 88.5 p -159.85 163.85 34.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -78.2 -72.9 1.12 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 124.55 11.18 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.68 2.253 . . . . 0.0 112.316 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 98.3 p -141.73 148.27 38.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 62.2 m -143.14 130.91 21.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.556 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -160.04 129.95 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -48.48 -61.77 1.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.43 64.71 0.43 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.1 p -65.91 106.91 1.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.875 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -161.43 113.07 1.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.13 106.45 0.24 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.04 -16.13 32.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.769 0.319 . . . . 0.0 110.853 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -71.95 -41.58 67.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.84 75.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -75.13 -42.72 55.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.49 -44.3 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -71.84 -57.73 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 15' ' ' ALA . 46.8 tp -44.59 -51.19 9.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.26 -58.99 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.433 ' OE1' HD23 ' A' ' 19' ' ' LEU . 6.6 tp10 -57.43 -64.71 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.64 HD21 HG11 ' A' ' 57' ' ' VAL . 83.9 mt -37.56 -40.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -65.25 -48.18 74.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.433 HD23 ' OE1' ' A' ' 16' ' ' GLU . 9.9 tp -60.19 -54.78 41.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' MET . 66.5 mt -47.93 -64.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.05 -44.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.11 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.1 m -71.02 -45.72 63.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 20' ' ' LEU . 83.8 mmm -56.68 -37.68 71.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.482 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.5 m-85 -107.2 99.73 28.87 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.644 0.735 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 53.7 Cg_endo -69.71 -45.54 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.679 2.253 . . . . 0.0 112.323 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 29' ' ' GLU . . . 164.84 -120.52 0.94 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' GLY . 24.7 tt0 35.6 47.8 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 62.38 42.26 9.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 26' ' ' GLY . 45.2 mm-40 -95.48 -59.03 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.477 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -139.62 135.94 33.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.412 HD13 ' ND2' ' A' ' 62' ' ' ASN . 5.2 mp -135.09 132.67 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.4 p -111.45 126.42 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -86.84 -42.15 13.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -96.32 86.82 4.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -72.22 -40.1 68.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mt -46.1 -52.45 12.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.549 ' HB1' HG22 ' A' ' 57' ' ' VAL . . . -37.67 -46.24 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 88.0 t -67.22 -56.16 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.65 -58.66 6.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -52.66 -40.73 63.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.4 tp -62.87 -41.92 99.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -64.07 -57.29 10.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -45.12 -42.31 8.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.4 t -55.32 -44.18 75.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.7 mt -76.64 -51.14 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -52.82 -41.67 64.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.589 ' HB3' HG22 ' A' ' 49' ' ' THR . 21.3 mtpp -88.93 14.65 10.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 47' ' ' LYS . 14.6 mttm 38.45 36.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.589 HG22 ' HB3' ' A' ' 47' ' ' LYS . 1.3 t -129.24 119.07 23.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.163 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.52 100.97 12.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -98.44 -42.18 7.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 125.08 130.37 3.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.516 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 53' ' ' ARG . 2.2 mpp_? -85.45 139.53 31.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.3 t -105.19 -42.47 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.6 m -88.45 113.35 23.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -63.0 139.93 58.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.64 HG11 HD21 ' A' ' 17' ' ' LEU . 67.5 t -65.39 95.64 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -100.55 114.58 28.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -147.16 126.66 13.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 83.9 m -96.69 148.18 23.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.482 HG23 ' CE2' ' A' ' 24' ' ' PHE . 97.5 mt -121.85 126.2 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.412 ' ND2' HD13 ' A' ' 31' ' ' ILE . 67.0 m-80 -96.43 133.7 40.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.403 ' HE1' ' O ' ' A' ' 129' ' ' THR . 16.4 mtm -144.52 110.81 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 34.7 p30 -82.74 130.25 35.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.456 ' CD1' ' HA ' ' A' ' 133' ' ' ARG . 0.5 OUTLIER -142.54 149.77 39.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.85 121.83 24.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.557 HG23 ' N ' ' A' ' 68' ' ' SER . 27.5 m -100.51 -48.85 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.557 ' N ' HG23 ' A' ' 67' ' ' VAL . 1.2 t -170.59 175.57 4.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.7 m-20 45.08 53.28 7.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' ASP . 3.7 pt-20 36.95 29.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -118.85 171.39 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.2 ptm -145.31 165.08 29.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.585 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -138.83 161.95 36.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.7 ttm -94.75 123.74 38.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.707 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 8.9 m-85 -104.46 111.77 24.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.5 m -85.04 116.31 23.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.481 ' HG ' HG22 ' A' ' 94' ' ' VAL . 6.7 mp -102.88 94.11 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.34 98.13 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 41.9 t -98.47 139.32 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 89.9 mt -134.79 111.08 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.14 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.814 HD23 ' HB3' ' A' ' 90' ' ' PRO . 18.6 mt -91.3 113.0 56.96 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.545 0.688 . . . . 0.0 110.957 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -173.32 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.649 2.233 . . . . 0.0 112.387 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -87.24 -10.47 52.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.814 ' HB2' HG22 ' A' ' 88' ' ' VAL . 1.2 mmpt? -80.42 -50.24 10.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.665 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.0 t80 -26.41 141.23 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.638 0.732 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.665 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.5 Cg_endo -69.75 -13.01 12.34 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.315 -0.047 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.613 ' HB3' ' HB3' ' A' ' 84' ' ' LYS . . . -32.38 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.814 HG22 ' HB2' ' A' ' 84' ' ' LYS . 2.9 m -101.39 126.77 55.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.436 HD12 ' HG2' ' A' ' 116' ' ' GLN . 59.4 mt -51.68 157.26 1.96 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.597 0.713 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.814 ' HB3' HD23 ' A' ' 81' ' ' LEU . 53.9 Cg_endo -69.73 -167.67 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.745 2.297 . . . . 0.0 112.32 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -129.48 70.85 1.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 29.0 mt -77.97 126.67 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.563 HG22 ' HD2' ' A' ' 95' ' ' ARG . 25.8 m -122.34 105.41 10.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.481 HG22 ' HG ' ' A' ' 77' ' ' LEU . 33.2 t -73.83 127.29 35.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.563 ' HD2' HG22 ' A' ' 93' ' ' THR . 0.3 OUTLIER -122.01 149.61 43.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.5 t -167.53 133.43 2.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 34.8 m -64.56 -22.8 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.585 HD11 ' CB ' ' A' ' 73' ' ' ALA . 14.0 mt -77.2 -43.99 31.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.515 HD11 HD13 ' A' ' 107' ' ' LEU . 42.3 mt -64.53 144.08 57.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.4 p -91.93 168.9 11.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -56.61 -23.65 42.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.7 t -88.91 -63.67 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 104' ' ' GLN . 0.6 OUTLIER -45.4 -61.56 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.467 ' HA ' ' NE2' ' A' ' 104' ' ' GLN . 4.7 tp60 -35.83 -53.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 37.3 m -48.67 -66.31 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -47.55 -47.5 28.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.663 HD11 ' HA ' ' A' ' 136' ' ' ALA . 10.5 tt -48.54 -57.25 6.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -61.9 -43.3 99.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 57.8 m -42.98 -42.32 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -79.03 -44.75 21.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.482 HD11 ' HB1' ' A' ' 128' ' ' ALA . 13.5 tp -41.61 -38.58 1.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 98.2 m -74.69 -39.99 61.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -55.07 -60.79 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 113' ' ' ALA . 25.6 t80 -37.28 -62.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 21.5 mt -53.92 -56.46 17.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.436 ' HG2' HD12 ' A' ' 89' ' ' LEU . 8.5 mm-40 -41.81 -27.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -95.79 -65.05 1.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -64.99 -64.29 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.844 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 6.3 t -88.48 99.31 12.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -138.74 108.98 6.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 97.32 -19.97 52.63 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.04 170.99 7.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 0.0 110.839 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.686 ' O ' HG23 ' A' ' 123' ' ' VAL . 35.1 m -99.9 99.78 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 23.7 m -135.02 96.94 3.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.565 HD11 HD21 ' A' ' 81' ' ' LEU . 39.8 mm -94.48 -31.56 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.184 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.36 -30.29 71.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -62.34 -21.14 65.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.482 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -81.78 -50.96 8.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.403 ' O ' ' HE1' ' A' ' 63' ' ' MET . 63.8 p -59.26 -35.91 74.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -72.5 -17.84 61.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.542 ' CE2' ' ND1' ' A' ' 135' ' ' HIS . 14.3 t90 -92.78 -30.93 15.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 134' ' ' GLU . 40.8 t -80.62 -52.46 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.456 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 1.9 ptm85 -36.61 -29.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 132' ' ' VAL . 34.3 tt0 -95.02 -53.62 3.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.542 ' ND1' ' CE2' ' A' ' 131' ' ' TRP . 10.3 m80 -58.89 -54.68 44.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.707 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -33.35 -68.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.1 t -51.79 -41.71 61.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -51.64 -41.32 49.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.469 ' CZ ' ' HA ' ' A' ' 107' ' ' LEU . 71.3 m-85 -69.16 -45.73 69.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.947 0.403 . . . . 0.0 110.915 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 52.6 t -62.14 121.21 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 46.3 p -115.54 -51.14 2.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.833 ' O ' HG22 ' A' ' 144' ' ' THR . 2.3 tmm_? -154.86 107.04 2.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -49.18 108.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.833 HG22 ' O ' ' A' ' 142' ' ' ARG . 4.8 t -169.81 136.26 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 93.2 p -110.51 140.19 45.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 84.7 p -93.0 40.68 1.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 54.8 m -102.57 150.78 23.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 128.32 -158.04 21.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 149.95 68.02 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.721 2.281 . . . . 0.0 112.36 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 23.2 t -162.06 131.0 4.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 34.9 t -115.5 126.42 54.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.892 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.437 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 m -88.2 -62.8 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 0.0 110.852 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 p -57.17 131.53 50.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.94 154.3 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.515 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 m -158.47 139.39 12.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.4 p -97.11 165.45 12.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.832 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.06 93.31 0.46 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -40.85 -38.16 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.775 0.321 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.506 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 21.0 tt0 -41.77 -52.18 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.7 -51.59 66.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.78 -31.7 68.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 9' ' ' GLN . . . -51.36 -48.65 62.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.103 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -64.45 -62.32 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.579 ' HA ' HD12 ' A' ' 17' ' ' LEU . 25.6 tp -46.13 -40.25 10.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.71 -65.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.404 ' HG2' ' N ' ' A' ' 17' ' ' LEU . 3.7 pt-20 -54.64 -39.2 67.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.648 HD21 HG11 ' A' ' 57' ' ' VAL . 26.3 mt -55.71 -40.55 72.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -70.36 -41.77 72.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.891 HD23 ' HG2' ' A' ' 23' ' ' MET . 2.5 tt -62.84 -57.93 9.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mt -44.28 -57.17 3.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.04 -42.66 2.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 m -77.16 -42.65 36.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.891 ' HG2' HD23 ' A' ' 19' ' ' LEU . 89.9 mmm -53.77 -31.5 48.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -115.57 76.81 5.69 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.624 0.726 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -21.29 33.89 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.319 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -50.48 150.67 5.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.73 -31.96 61.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -122.6 45.02 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -104.86 -46.29 4.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.583 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -136.01 129.96 32.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.502 HD12 ' N ' ' A' ' 31' ' ' ILE . 4.3 mp -127.55 135.17 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -111.47 114.39 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -75.26 -48.39 23.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -93.23 97.38 10.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -87.37 -45.78 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tp -44.92 -53.23 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -37.44 -52.44 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.5 t -63.25 -52.06 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -42.35 -46.12 4.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -61.5 -38.79 88.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.824 HD13 ' HD3' ' A' ' 53' ' ' ARG . 43.1 tp -59.11 -47.31 85.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.402 ' HD2' HD13 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -59.61 -55.97 27.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -51.51 -41.01 60.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 97.7 m -56.63 -54.64 43.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.0 mt -60.42 -51.82 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -55.38 -33.35 63.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -96.55 11.64 34.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.4 mttt 43.11 29.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.3 t -120.2 127.57 52.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.14 93.62 4.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -90.14 30.51 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' ARG . . . 48.59 94.06 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.509 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.824 ' HD3' HD13 ' A' ' 41' ' ' LEU . 23.7 mtm180 -36.07 148.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 t -117.86 -35.63 3.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.0 t -102.63 119.85 39.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.483 ' HB3' HG23 ' A' ' 80' ' ' ILE . 19.0 mtmt -70.27 138.41 51.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.648 HG11 HD21 ' A' ' 17' ' ' LEU . 60.9 t -68.66 95.47 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -94.8 110.98 22.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -140.96 129.29 22.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 42.8 m -93.95 146.29 24.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.158 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.4 mt -120.54 116.58 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -89.09 124.14 34.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 10.3 mtm -134.45 118.57 17.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -93.97 127.82 39.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.439 ' CD1' ' HA ' ' A' ' 133' ' ' ARG . 0.6 OUTLIER -137.0 157.21 47.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.84 136.77 32.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.481 HG11 HG11 ' A' ' 140' ' ' VAL . 1.3 m -114.17 -47.11 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.1 p -174.94 -177.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' LYS . 7.2 m-20 47.06 47.52 15.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 38.85 27.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 69' ' ' ASP . 7.4 mtmt -116.85 179.8 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.407 ' HB2' ' HE3' ' A' ' 72' ' ' MET . 8.1 ptm -151.34 156.84 41.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.12 167.34 14.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.401 ' SD ' ' N ' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -107.69 121.92 45.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.401 ' N ' ' SD ' ' A' ' 74' ' ' MET . 4.2 m-85 -102.38 145.95 28.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 75.1 m -113.14 122.14 46.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.475 HD11 HG11 ' A' ' 132' ' ' VAL . 4.8 mp -109.62 94.51 5.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.98 103.28 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 46.4 t -103.87 142.64 34.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.483 HG23 ' HB3' ' A' ' 56' ' ' LYS . 59.2 mt -138.99 113.11 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.154 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.3 mt -85.54 115.74 62.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.597 0.713 . . . . 0.0 110.922 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -173.81 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.359 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.46 ' CE1' ' HG3' ' A' ' 56' ' ' LYS . 1.3 m-85 -86.31 -7.87 58.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.71 ' HB2' HG22 ' A' ' 88' ' ' VAL . 6.9 mttp -88.61 -46.01 9.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.735 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -29.96 141.06 0.11 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.679 0.752 . . . . 0.0 110.925 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.735 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.6 Cg_endo -69.77 -6.05 9.22 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.335 -0.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.487 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -35.81 -76.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.71 HG22 ' HB2' ' A' ' 84' ' ' LYS . 3.2 m -99.99 128.3 52.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.191 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.8 mt -43.55 159.1 0.23 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.56 0.695 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.632 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.72 -169.07 0.3 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.669 2.246 . . . . 0.0 112.355 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -128.16 66.6 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.2 mt -72.1 146.59 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.538 HG22 ' HD2' ' A' ' 95' ' ' ARG . 11.1 m -142.93 104.97 4.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.719 HG21 HD21 ' A' ' 107' ' ' LEU . 3.1 t -77.6 127.87 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.538 ' HD2' HG22 ' A' ' 93' ' ' THR . 0.2 OUTLIER -123.47 145.45 48.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 t -175.07 137.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.824 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.9 p -74.43 -22.93 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.089 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.07 -44.06 90.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.7 mt -70.58 140.19 51.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.3 t -72.02 176.04 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.4 mtm-85 -58.51 -37.43 75.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.8 t -92.98 -50.64 5.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -49.95 -25.29 3.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -72.18 -72.11 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.8 t -44.78 -29.51 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -64.03 -41.21 97.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.719 HD21 HG21 ' A' ' 94' ' ' VAL . 2.3 tt -69.25 -34.42 74.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.453 ' OD1' HG23 ' A' ' 94' ' ' VAL . 83.4 m-20 -73.85 -56.56 4.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.0 m -44.99 -34.05 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 111' ' ' LEU . 4.3 t70 -80.86 -52.79 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.92 HD11 ' HB1' ' A' ' 128' ' ' ALA . 4.7 tp -35.12 -57.47 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 84.2 m -59.87 -49.91 75.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.176 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -45.2 -57.52 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.587 ' O ' ' CD2' ' A' ' 118' ' ' HIS . 31.8 t80 -34.34 -51.33 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.6 mt -67.28 -54.62 19.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -48.45 -21.39 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.72 -65.6 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 114' ' ' PHE . 4.3 p80 -103.89 -63.69 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.406 ' H ' ' CG ' ' A' ' 118' ' ' HIS . 87.0 m -70.72 96.34 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.9 105.94 2.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 138.71 -30.93 2.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.17 168.8 11.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.358 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.631 ' O ' HG23 ' A' ' 123' ' ' VAL . 27.1 m -64.45 102.67 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 25.8 p -126.22 80.69 1.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.9 mm -90.97 -57.14 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 129' ' ' THR . 12.4 mt -50.49 -53.52 29.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -38.32 -31.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.92 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -78.03 -42.68 31.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 126' ' ' LEU . 23.1 p -65.54 -44.96 85.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -63.5 -15.49 58.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.53 ' CE2' ' ND1' ' A' ' 135' ' ' HIS . 14.7 t90 -94.48 -26.44 16.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.525 ' CG2' HD22 ' A' ' 111' ' ' LEU . 18.2 t -80.05 -46.18 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.439 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 8.4 ptm180 -55.38 -28.91 57.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -87.65 -64.62 1.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.53 ' ND1' ' CE2' ' A' ' 131' ' ' TRP . 16.3 m80 -53.37 -46.65 69.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 132' ' ' VAL . . . -33.8 -71.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 10.1 p -42.44 -39.89 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -57.29 -49.07 75.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.494 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -63.81 -48.51 76.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.481 HG11 HG11 ' A' ' 67' ' ' VAL . 21.9 t -65.21 115.92 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 50.7 p -155.33 154.79 32.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 35.1 ttt85 44.81 36.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -55.3 -51.9 65.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 12.0 t 39.51 41.2 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.2 t -50.93 154.1 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.824 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 59.7 p -113.38 -42.84 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 50.6 p -97.26 156.07 16.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -146.87 101.55 0.24 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.437 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -37.7 8.82 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.682 2.255 . . . . 0.0 112.314 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 17.9 m -106.51 161.95 14.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 13.4 t -109.02 127.31 53.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.839 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.448 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -86.14 -61.68 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 t -117.95 80.87 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.96 81.68 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.5 t 47.8 46.87 18.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.862 0.363 . . . . 0.0 110.823 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -75.65 146.09 40.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.2 -106.19 0.6 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.4 pm0 -49.97 -19.78 0.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.773 0.32 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -66.92 -42.19 85.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.477 ' HB2' HH21 ' A' ' 53' ' ' ARG . . . -61.16 -33.2 73.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' ALA . 33.8 mt-10 -78.22 -48.09 16.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . -36.62 -47.64 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 82' ' ' PRO . 51.6 mt-30 -67.06 -62.33 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 15' ' ' ALA . 38.4 tp -46.99 -59.4 3.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -36.24 -56.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -59.34 -50.89 72.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.63 HD21 HG11 ' A' ' 57' ' ' VAL . 30.7 mt -44.89 -56.69 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -49.88 -47.93 51.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.51 -56.3 18.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 23' ' ' MET . 22.9 mt -47.43 -61.6 1.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.989 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.97 -40.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -74.33 -42.66 59.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' LEU . 92.0 mmm -60.03 -46.96 87.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -108.12 76.83 0.64 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.636 0.731 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -45.66 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.715 2.277 . . . . 0.0 112.342 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -43.6 120.76 3.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -47.73 -32.28 5.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.826 0.346 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.506 ' ND2' ' OE2' ' A' ' 29' ' ' GLU . 0.9 OUTLIER -85.98 -38.44 17.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.506 ' OE2' ' ND2' ' A' ' 28' ' ' ASN . 0.3 OUTLIER -48.54 -43.15 35.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.536 HD21 HG23 ' A' ' 32' ' ' VAL . 1.4 tt -143.43 137.57 28.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.61 116.94 25.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.536 HG23 HD21 ' A' ' 30' ' ' LEU . 76.6 t -96.54 93.88 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -65.51 -53.52 41.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.61 80.92 3.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -76.74 -46.53 24.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.529 ' C ' HD23 ' A' ' 36' ' ' LEU . 7.7 tt -44.44 -52.16 8.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -38.28 -52.88 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.079 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.6 t -58.79 -54.6 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -45.89 -46.94 16.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -65.87 -51.25 60.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.4 tp -43.5 -58.71 2.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -43.38 -39.46 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.952 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -69.66 -38.81 77.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 21.9 m -54.98 -43.06 73.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 40.3 mt -73.98 -52.43 20.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.416 ' C ' ' HE3' ' A' ' 47' ' ' LYS . 5.2 mm-40 -51.9 -50.47 61.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.717 ' HB3' HG22 ' A' ' 49' ' ' THR . 0.2 OUTLIER -75.27 4.94 6.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 47' ' ' LYS . 2.4 mmmp? 34.08 33.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.717 HG22 ' HB3' ' A' ' 47' ' ' LYS . 5.1 t -121.53 -34.11 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.148 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.453 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 33.4 53.63 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -47.58 -54.18 12.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -173.06 100.4 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.477 HH21 ' HB2' ' A' ' 10' ' ' ALA . 45.5 mtt85 -51.66 -37.42 50.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.924 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.7 m 38.08 32.66 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.4 p -147.36 106.34 3.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -78.06 110.97 13.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.63 HG11 HD21 ' A' ' 17' ' ' LEU . 91.5 t -55.95 97.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -100.16 120.49 39.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -150.71 120.02 6.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.3 m -89.98 145.66 24.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.5 mt -119.99 127.33 75.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.452 ' HB3' ' CE ' ' A' ' 74' ' ' MET . 83.3 m-20 -104.22 120.45 41.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.0 mtm -123.42 113.0 18.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -84.83 127.8 34.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -144.77 147.29 32.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -75.68 137.92 40.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.457 HG11 HG21 ' A' ' 140' ' ' VAL . 2.4 m -116.36 -47.48 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 78.6 p -174.2 -178.99 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 71' ' ' LYS . 3.4 t0 43.67 53.07 6.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' ASP . 8.0 tt0 35.44 32.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 69' ' ' ASP . 19.6 mtpp -122.92 177.67 5.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.4 ptm -147.2 156.35 42.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.601 ' HB1' HD23 ' A' ' 98' ' ' LEU . . . -127.06 161.58 28.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.119 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.452 ' CE ' ' HB3' ' A' ' 62' ' ' ASN . 2.2 tpt -101.74 131.19 48.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.565 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 7.2 m-85 -111.93 109.09 18.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 91.1 p -84.55 119.44 25.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.764 ' HG ' HG22 ' A' ' 94' ' ' VAL . 5.7 mp -107.81 93.01 4.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.97 97.08 1.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.0 m -96.43 141.94 29.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 81.2 mt -138.42 115.81 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.1 mt -88.33 110.01 33.05 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.577 0.703 . . . . 0.0 110.943 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.414 ' O ' ' NE2' ' A' ' 13' ' ' GLN . 53.4 Cg_endo -69.71 -174.83 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.242 . . . . 0.0 112.345 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -95.68 26.01 4.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.68 ' HB2' HG22 ' A' ' 88' ' ' VAL . 0.6 OUTLIER -121.48 -42.74 2.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.658 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.4 t80 -31.14 140.53 0.15 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.655 0.74 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.658 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.7 Cg_endo -69.71 -9.51 10.95 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.379 -0.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.477 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -31.71 -74.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.68 HG22 ' HB2' ' A' ' 84' ' ' LYS . 3.1 m -106.29 127.45 61.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 mp -50.5 157.08 1.33 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.578 0.704 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.605 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.7 Cg_endo -69.82 172.9 11.85 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.251 . . . . 0.0 112.357 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -111.77 77.85 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.424 HG21 HD23 ' A' ' 77' ' ' LEU . 39.9 mt -83.5 138.01 19.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.1 m -132.75 114.34 14.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.764 HG22 ' HG ' ' A' ' 77' ' ' LEU . 13.3 t -89.13 135.18 26.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -134.34 143.17 47.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.6 t -158.67 126.17 5.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.444 HG22 HD22 ' A' ' 98' ' ' LEU . 5.6 m -67.15 -14.91 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.146 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.601 HD23 ' HB1' ' A' ' 73' ' ' ALA . 2.0 mm? -84.39 -27.84 27.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.43 HD21 ' HB3' ' A' ' 139' ' ' TYR . 13.9 mt -76.44 -178.59 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 101' ' ' ARG . 17.1 t -123.76 143.75 50.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -35.9 -39.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.89 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -73.51 -61.14 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 139' ' ' TYR . 37.0 mt-30 -51.23 -59.39 4.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -40.52 -61.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 85.1 m -45.31 -60.98 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -45.49 -50.09 13.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.495 HD12 ' CD2' ' A' ' 139' ' ' TYR . 10.1 tt -52.36 -51.93 56.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -55.71 -64.0 0.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 78.2 m -39.67 -48.16 2.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 111' ' ' LEU . 15.0 m-20 -65.88 -55.88 14.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.844 HD13 HG23 ' A' ' 132' ' ' VAL . 29.5 tp -34.5 -56.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 93.9 m -55.92 -50.91 69.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -50.33 -57.07 8.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 113' ' ' ALA . 2.8 t80 -34.39 -47.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' A' ' 128' ' ' ALA . 15.3 mt -70.42 -54.8 10.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -46.78 -22.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.425 ' C ' ' HD3' ' A' ' 117' ' ' LYS . 0.2 OUTLIER -81.69 -65.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -87.26 -60.74 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.2 t -77.51 98.72 5.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -141.16 122.75 15.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 74.37 28.66 63.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -143.25 -176.25 4.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.66 ' O ' HG23 ' A' ' 123' ' ' VAL . 27.7 m -116.72 94.38 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 3.9 m -142.5 105.11 4.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 34.0 mm -95.82 -51.97 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 127' ' ' ASN . 54.9 mt -41.8 -55.74 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 126' ' ' LEU . 5.5 m120 -37.53 -45.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.455 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -61.48 -60.92 2.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 69.4 p -45.42 -41.8 9.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -62.98 -57.52 10.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.517 ' CE3' ' O ' ' A' ' 131' ' ' TRP . 16.5 t90 -52.35 -16.63 0.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.844 HG23 HD13 ' A' ' 111' ' ' LEU . 20.0 t -90.78 -46.17 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.505 ' O ' ' NE ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -59.22 -17.76 30.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -94.4 -47.22 6.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.443 ' O ' ' C ' ' A' ' 136' ' ' ALA . 3.7 m-70 -72.66 -53.05 12.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.565 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -34.06 -65.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.4 p -38.96 -45.68 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.806 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -62.8 -41.91 99.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.495 ' CD2' HD12 ' A' ' 107' ' ' LEU . 40.9 m-85 -60.95 -48.05 83.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.963 0.411 . . . . 0.0 110.892 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.457 HG21 HG11 ' A' ' 67' ' ' VAL . 46.7 t -57.58 119.99 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.177 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 5.8 t -156.27 139.19 15.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.802 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 21.1 ttt85 -109.05 150.02 28.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -101.58 -56.58 2.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 12.6 t -72.61 160.04 32.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.5 t -124.71 -49.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.7 t -126.56 140.52 52.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 19.1 m -102.72 -48.7 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 68.48 146.19 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.463 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 164.37 34.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.2 t -119.78 91.98 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 32.7 t -70.99 -47.56 58.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p -82.37 176.65 9.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.371 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -110.57 169.45 8.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.01 -73.35 0.87 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -160.49 143.14 13.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.838 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -100.97 -46.97 4.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.04 64.69 1.35 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.532 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.64 -44.66 66.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -42.32 -42.23 3.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.27 -48.13 79.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -66.01 -39.61 90.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.02 -50.89 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -74.01 -46.71 41.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.441 HD13 ' HG3' ' A' ' 42' ' ' LYS . 44.5 tp -53.11 -64.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.96 -52.85 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -54.14 -53.03 58.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.565 HD21 HG11 ' A' ' 57' ' ' VAL . 86.2 mt -55.0 -51.84 65.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' A' ' 18' ' ' ASP . 7.2 t0 -55.55 -48.33 74.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' LEU . 4.4 tt -56.41 -64.14 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 19' ' ' LEU . 29.0 mt -35.41 -52.58 0.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.94 -46.96 5.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.091 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 93.4 p -67.57 -44.33 78.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.712 ' HE2' HD21 ' A' ' 126' ' ' LEU . 41.4 mmm -57.16 -37.67 72.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -107.86 73.24 0.41 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.571 0.7 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 26' ' ' GLY . 53.8 Cg_endo -69.75 -30.79 21.77 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.697 2.265 . . . . 0.0 112.367 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' PRO . . . -36.8 147.72 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -69.1 -32.55 72.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -126.84 46.71 2.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -104.8 -39.31 6.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.501 HD23 ' C ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -141.01 144.81 35.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mp -142.61 119.99 6.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.444 HG22 ' HB2' ' A' ' 59' ' ' PHE . 68.3 t -96.49 95.51 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -63.35 -51.2 66.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.43 ' OD2' ' HB3' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -71.93 117.24 13.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -110.22 -35.71 6.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.4 tp -54.59 -66.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.43 ' HB3' ' OD2' ' A' ' 34' ' ' ASP . . . -38.88 -46.36 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.6 t -67.21 -47.67 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.34 -51.3 62.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -64.53 -51.1 64.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.571 HD13 ' NE ' ' A' ' 53' ' ' ARG . 29.2 tp -46.6 -55.6 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.441 ' HG3' HD13 ' A' ' 14' ' ' LEU . 10.4 mtpp -60.88 -49.0 79.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -52.89 -38.35 61.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.0 m -59.16 -57.85 11.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.7 mt -47.26 -54.81 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.73 -46.83 86.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -66.06 -21.4 66.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.8 mttt 55.78 39.11 30.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.3 t -121.3 -21.36 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.468 ' CE ' ' HA ' ' A' ' 50' ' ' MET . 0.0 OUTLIER 47.7 46.54 18.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -43.34 -49.2 6.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 139.69 133.34 3.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.584 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 12.6 mmt-85 -51.85 156.53 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.818 0.342 . . . . 0.0 110.828 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -111.09 -38.97 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 t -147.61 168.6 21.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.535 ' HB3' HG23 ' A' ' 80' ' ' ILE . 42.3 mttm -81.84 133.06 35.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.565 HG11 HD21 ' A' ' 17' ' ' LEU . 98.9 t -61.5 108.76 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.469 ' HE1' ' HB1' ' A' ' 78' ' ' ALA . 13.8 t80 -109.32 125.08 51.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.444 ' HB2' HG22 ' A' ' 32' ' ' VAL . 7.1 p90 -153.36 118.61 5.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.4 m -90.28 141.35 28.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.4 mt -117.28 125.06 73.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -98.84 114.36 26.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 51.1 mtp -115.74 129.39 56.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -97.09 122.6 40.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 133' ' ' ARG . 1.6 mt -145.46 159.3 43.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.32 128.59 35.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.552 HG21 HD13 ' A' ' 98' ' ' LEU . 30.6 m -103.74 -48.59 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.543 ' N ' HG23 ' A' ' 67' ' ' VAL . 1.3 t -174.67 175.98 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' LYS . 3.7 m-20 47.4 48.28 16.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 40.27 26.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' ASP . 19.6 mtmm -112.47 165.52 12.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.7 mtp -124.3 -174.29 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.592 ' HB2' HD11 ' A' ' 98' ' ' LEU . . . -165.83 170.22 14.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 54.5 mtp -106.27 123.77 48.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.558 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 10.3 m-85 -101.07 105.07 16.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.808 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.6 m -82.23 120.09 24.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.463 ' HG ' HG22 ' A' ' 94' ' ' VAL . 5.4 mp -113.79 93.32 4.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.469 ' HB1' ' HE1' ' A' ' 58' ' ' TYR . . . -74.34 95.39 2.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.426 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 36.5 t -93.93 128.41 40.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.535 HG23 ' HB3' ' A' ' 56' ' ' LYS . 75.0 mt -128.43 109.15 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.687 HD23 ' HB3' ' A' ' 90' ' ' PRO . 16.1 mt -82.55 119.77 75.33 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.622 0.725 . . . . 0.0 110.911 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -173.36 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.739 2.292 . . . . 0.0 112.328 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.584 ' CE2' ' HB2' ' A' ' 53' ' ' ARG . 3.8 m-30 -89.74 3.9 51.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.754 ' HB2' HG22 ' A' ' 88' ' ' VAL . 13.7 mmtp -100.4 -47.24 4.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.95 ' CE2' HG12 ' A' ' 123' ' ' VAL . 1.2 t80 -27.46 141.26 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.655 0.741 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.72 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.6 Cg_endo -69.74 -7.12 9.76 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.362 -0.094 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.456 ' HB3' ' HB3' ' A' ' 84' ' ' LYS . . . -35.42 -76.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.754 HG22 ' HB2' ' A' ' 84' ' ' LYS . 2.8 m -101.99 130.6 51.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 115' ' ' LEU . 0.9 OUTLIER -45.12 158.07 0.31 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.727 . . . . 0.0 110.881 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.687 ' HB3' HD23 ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.82 -165.06 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.667 2.244 . . . . 0.0 112.296 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -133.12 67.91 1.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.2 mt -75.75 122.17 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.5 m -112.3 100.07 8.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.463 HG22 ' HG ' ' A' ' 77' ' ' LEU . 39.0 t -73.38 130.02 35.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 78.2 mtt-85 -138.12 141.45 40.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.513 ' HB3' HD12 ' A' ' 99' ' ' LEU . 38.1 t -152.65 139.0 18.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.4 t -61.99 -37.91 79.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.592 HD11 ' HB2' ' A' ' 73' ' ' ALA . 15.2 mt -67.34 -52.61 38.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.513 HD12 ' HB3' ' A' ' 96' ' ' SER . 41.8 mt -53.85 169.2 0.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.2 t -111.92 138.76 48.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.1 ttt-85 -38.12 -40.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.6 m -73.89 -54.93 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 104' ' ' GLN . 14.9 mm100 -54.74 -64.76 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 103' ' ' GLN . 4.5 tp60 -34.92 -49.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 49.2 m -45.5 -63.37 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.15 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -42.93 -47.33 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.785 HD12 ' CD2' ' A' ' 139' ' ' TYR . 9.1 tt -57.11 -39.6 75.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -64.27 -65.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 91.6 m -41.86 -38.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -76.7 -47.38 22.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.462 ' HB2' ' CZ3' ' A' ' 131' ' ' TRP . 8.7 tp -48.36 -59.62 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 113' ' ' ALA . 12.0 m -54.5 -61.28 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 112' ' ' THR . . . -35.19 -57.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.061 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.432 ' CE2' ' CE1' ' A' ' 118' ' ' HIS . 12.6 t80 -38.2 -49.49 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.734 HD11 ' HB2' ' A' ' 128' ' ' ALA . 17.3 mt -66.91 -54.67 19.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -45.88 -33.26 3.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.472 ' N ' ' HE2' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -87.9 -64.08 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.432 ' CE1' ' CE2' ' A' ' 114' ' ' PHE . 11.3 m-70 -52.45 -66.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 3.6 t -106.69 111.82 24.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -133.75 85.28 2.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 144.6 -26.31 1.96 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.5 -176.65 2.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.825 0.345 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.95 HG12 ' CE2' ' A' ' 85' ' ' TYR . 2.8 m -102.21 111.12 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.86 88.52 2.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 40.7 mm -89.4 -45.02 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.712 HD21 ' HE2' ' A' ' 23' ' ' MET . 11.9 mt -51.65 -59.71 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 126' ' ' LEU . 3.4 m120 -35.9 -37.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.734 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -67.58 -50.39 58.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 126' ' ' LEU . 74.7 p -60.87 -33.08 72.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -78.66 -17.23 56.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.492 ' CE2' ' ND1' ' A' ' 135' ' ' HIS . 11.2 t90 -89.64 -18.07 27.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 134' ' ' GLU . 17.8 t -89.68 -56.64 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.146 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.491 ' HA ' HD13 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -40.7 -24.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 132' ' ' VAL . 5.3 tm-20 -94.57 -58.07 2.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.492 ' ND1' ' CE2' ' A' ' 131' ' ' TRP . 10.0 m80 -56.99 -52.73 64.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.558 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -33.89 -66.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 136' ' ' ALA . 84.3 p -36.02 -45.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -59.3 -57.46 19.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.785 ' CD2' HD12 ' A' ' 107' ' ' LEU . 81.1 m-85 -55.72 -52.16 64.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.945 0.403 . . . . 0.0 110.885 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.529 HG11 ' HB ' ' A' ' 67' ' ' VAL . 58.7 t -48.49 109.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 6.5 m -112.39 157.24 21.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.403 ' O ' HG23 ' A' ' 144' ' ' THR . 24.0 ptt180 -101.27 -44.15 5.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 38.8 t70 39.91 44.83 1.46 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 142' ' ' ARG . 75.5 p -99.98 95.81 7.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 93.7 p -112.62 138.76 48.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 60.0 p -59.91 147.9 36.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 29.2 t -68.04 -42.95 79.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 91.3 83.59 1.44 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.484 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 95.4 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 52.0 m -146.93 151.18 36.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.9 m -86.81 -45.78 10.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t -58.89 148.66 29.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.39 . . . . 0.0 110.799 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -54.6 170.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.49 81.06 0.27 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 t -59.25 97.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 110.869 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 p -91.42 81.64 5.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.76 43.03 1.73 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.531 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -70.61 -63.4 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -40.34 -46.33 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.66 -42.7 62.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -64.01 -50.04 70.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -39.88 -62.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.067 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -51.01 -54.6 23.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 15' ' ' ALA . 26.9 tp -52.12 -66.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.71 -46.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.586 ' OE1' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -58.34 -52.27 66.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.5 mt -47.77 -53.66 14.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -49.95 -48.46 51.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 tt -51.49 -55.02 21.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.586 HD12 ' OE1' ' A' ' 16' ' ' GLU . 70.2 mt -53.51 -65.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -35.34 -36.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.2 m -78.58 -42.36 29.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 20' ' ' LEU . 60.6 mmm -63.23 -42.2 99.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.427 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 4.9 m-85 -110.09 82.2 2.45 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.684 0.754 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -45.8 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.313 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -46.07 109.07 0.3 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.473 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -41.41 -27.98 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.885 0.374 . . . . 0.0 110.846 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -84.57 -42.4 15.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -44.85 -40.11 5.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.517 ' C ' HD12 ' A' ' 31' ' ' ILE . 1.4 tt -144.6 145.14 31.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.517 HD12 ' C ' ' A' ' 30' ' ' LEU . 4.7 mp -142.38 118.25 5.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.56 HG22 ' CB ' ' A' ' 59' ' ' PHE . 67.2 t -98.9 96.42 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -66.14 -54.67 22.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -73.4 91.24 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -83.28 -45.62 13.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.09 -50.91 34.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.16 -42.86 3.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 81.3 t -70.67 -57.68 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -43.26 -48.03 6.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.28 -43.58 92.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.8 tp -58.68 -40.94 84.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -66.67 -62.07 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -43.14 -40.89 3.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.8 m -57.17 -54.91 41.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.2 mt -64.76 -50.02 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -51.87 -48.16 64.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -80.22 12.85 2.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.9 mttt 43.39 43.49 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.4 t -140.81 145.01 35.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.1 mmt -129.55 88.63 2.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -78.45 -46.15 20.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 131.31 94.73 0.65 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.52 ' HG2' ' CD1' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -66.12 148.46 51.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 0.0 110.852 -179.844 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 t -121.12 21.16 11.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.1 t -122.69 125.05 44.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.451 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 20.8 mttp -84.81 127.78 34.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.937 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.3 t -65.98 112.12 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -115.57 127.88 55.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.56 ' CB ' HG22 ' A' ' 32' ' ' VAL . 37.5 p90 -155.75 118.6 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.3 m -89.8 143.96 26.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 75.3 mt -117.05 128.84 74.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.441 ' HB3' ' CE ' ' A' ' 74' ' ' MET . 82.6 m-20 -100.46 113.71 26.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.3 mtp -117.33 111.51 19.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -84.35 107.62 16.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.664 HD13 ' HA ' ' A' ' 133' ' ' ARG . 1.7 mt -134.47 162.44 32.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -73.76 141.38 46.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.617 HG11 HD12 ' A' ' 98' ' ' LEU . 29.9 m -116.07 -53.07 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.613 ' N ' HG23 ' A' ' 67' ' ' VAL . 1.8 m -175.34 175.7 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.508 ' OD1' ' CG ' ' A' ' 71' ' ' LYS . 1.1 p30 52.08 25.03 2.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 62.01 28.17 17.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.508 ' CG ' ' OD1' ' A' ' 69' ' ' ASP . 0.7 OUTLIER -116.27 156.52 26.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.9 mtp -112.11 164.96 12.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.732 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -158.03 155.92 30.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.441 ' CE ' ' HB3' ' A' ' 62' ' ' ASN . 51.5 ttm -84.76 144.45 28.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -119.25 114.18 22.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.5 m -85.03 118.78 24.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.528 ' HG ' HG22 ' A' ' 94' ' ' VAL . 5.2 mp -114.27 92.9 4.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.33 95.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 16.2 m -96.85 113.34 24.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 65.6 mt -115.4 110.47 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.449 HD23 ' HB3' ' A' ' 90' ' ' PRO . 34.2 mt -82.84 118.34 71.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.606 0.717 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -175.38 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.629 2.219 . . . . 0.0 112.314 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.52 ' CD1' ' HG2' ' A' ' 53' ' ' ARG . 72.8 m-85 -95.56 26.42 3.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.782 ' HB2' HG22 ' A' ' 88' ' ' VAL . 8.1 mttt -125.21 -41.51 2.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.675 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 3.0 t80 -30.76 141.35 0.13 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.696 0.76 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.675 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.5 Cg_endo -69.77 -8.75 10.7 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.353 -0.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.492 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -30.79 -73.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.782 HG22 ' HB2' ' A' ' 84' ' ' LYS . 10.0 m -109.58 129.0 65.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.542 HD13 ' OE1' ' A' ' 116' ' ' GLN . 7.4 mp -46.8 156.58 0.52 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.606 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.2 Cg_endo -69.71 -176.75 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.364 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -116.88 58.56 0.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.7 mt -66.24 124.64 21.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.3 m -121.5 101.95 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.528 HG22 ' HG ' ' A' ' 77' ' ' LEU . 50.4 t -75.42 115.07 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.164 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -124.47 132.57 53.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.522 ' HB3' HD12 ' A' ' 99' ' ' LEU . 33.0 t -144.67 112.08 6.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' SER . 27.1 m -35.06 -35.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.072 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.732 HD11 ' CB ' ' A' ' 73' ' ' ALA . 27.7 mt -62.04 -56.43 19.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.623 HD21 HG13 ' A' ' 140' ' ' VAL . 5.8 mt -70.96 144.71 50.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.467 ' H ' ' CG ' ' A' ' 103' ' ' GLN . 11.4 t -97.1 150.53 20.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 101' ' ' ARG . 20.9 mtm105 -42.76 -23.75 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 100' ' ' SER . 1.9 t -71.92 -54.8 8.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.467 ' CG ' ' H ' ' A' ' 100' ' ' SER . 0.7 OUTLIER -77.98 -47.2 19.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.437 ' HA ' ' NE2' ' A' ' 104' ' ' GLN . 6.3 tp60 -43.15 -62.57 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.4 t -43.55 -36.6 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -61.89 -49.91 74.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.534 ' C ' HD23 ' A' ' 107' ' ' LEU . 5.5 tt -61.04 -34.5 74.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -69.72 -58.09 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.4 m -43.43 -25.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 111' ' ' LEU . 47.3 t0 -93.69 -54.95 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.561 HD11 ' HB1' ' A' ' 128' ' ' ALA . 12.8 tp -36.12 -44.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.7 m -69.44 -48.55 60.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.01 -41.23 59.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.401 ' CE1' ' CG ' ' A' ' 118' ' ' HIS . 4.1 t80 -47.4 -57.37 5.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.535 ' HB2' HD23 ' A' ' 89' ' ' LEU . 18.3 mt -63.23 -48.84 76.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.542 ' OE1' HD13 ' A' ' 89' ' ' LEU . 15.7 mm-40 -39.13 -38.15 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -93.92 -62.5 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.401 ' CG ' ' CE1' ' A' ' 114' ' ' PHE . 27.3 m-70 -52.14 -60.0 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.793 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 37.1 t -117.5 106.14 12.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -130.19 84.5 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 124.9 30.93 0.91 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.451 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -156.54 178.55 10.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.688 ' O ' HG23 ' A' ' 123' ' ' VAL . 35.0 m -100.6 98.4 6.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.63 95.84 3.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.836 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 49.6 mm -96.06 -38.86 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 128' ' ' ALA . 9.1 mt -58.6 -57.71 11.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 126' ' ' LEU . 3.8 m-20 -35.15 -32.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.561 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -69.45 -58.86 3.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 72.3 p -51.29 -38.96 55.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.53 -21.66 64.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.779 ' CZ2' ' CE1' ' A' ' 135' ' ' HIS . 34.5 t90 -87.45 -20.2 26.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 134' ' ' GLU . 81.5 t -82.37 -62.3 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.664 ' HA ' HD13 ' A' ' 65' ' ' LEU . 33.8 ptt180 -37.65 -28.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 132' ' ' VAL . 41.1 tt0 -87.13 -64.19 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.779 ' CE1' ' CZ2' ' A' ' 131' ' ' TRP . 17.0 m80 -55.41 -52.74 62.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.521 ' O ' HG22 ' A' ' 140' ' ' VAL . . . -38.06 -66.77 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.422 ' HA ' HG23 ' A' ' 140' ' ' VAL . 91.3 p -46.2 -29.65 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -70.9 -43.51 58.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.517 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -67.19 -31.36 71.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.941 0.4 . . . . 0.0 110.935 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.623 HG13 HD21 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -94.86 111.79 26.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.114 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.0 t -155.18 150.2 26.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 142' ' ' ARG . 14.0 ttp-105 -42.77 141.61 1.04 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -108.84 52.68 0.7 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.836 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 90.1 m -112.56 121.66 45.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.3 m -95.28 -64.27 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 84.5 p -46.65 142.37 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 70.6 m -86.99 95.5 9.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 108.19 141.15 9.56 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.484 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 113.83 3.5 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.255 . . . . 0.0 112.32 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 151' ' ' SER . 37.8 t -84.92 125.27 32.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 150' ' ' SER . 4.9 m -35.48 123.08 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.459 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -61.95 123.3 17.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.891 0.377 . . . . 0.0 110.885 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -69.98 -42.62 72.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.74 122.42 3.23 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.2 p -161.84 153.93 19.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 110.885 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.0 m -111.54 -54.64 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.39 79.07 1.43 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.03 -16.17 60.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.784 0.326 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -65.75 -46.18 79.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.77 -38.96 76.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 12' ' ' ALA . 37.5 mt-10 -70.98 -51.9 22.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . -36.31 -65.54 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -49.87 -52.4 33.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.62 HD22 HD12 ' A' ' 45' ' ' ILE . 47.4 tp -49.24 -64.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -36.22 -45.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -63.16 -59.31 4.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.465 HD21 HD12 ' A' ' 81' ' ' LEU . 19.5 mt -48.35 -53.37 17.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -50.06 -41.19 47.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.8 tp -67.68 -51.33 50.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.9 mt -50.97 -60.3 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -37.13 -39.92 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t -79.92 -43.23 22.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 95.9 mmm -52.71 -16.08 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -126.61 83.29 65.22 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 26' ' ' GLY . 54.0 Cg_endo -69.75 -39.0 7.05 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' PRO . . . -35.43 131.05 0.69 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.28 -20.47 65.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.874 0.368 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -132.09 43.11 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -102.09 -52.77 3.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.48 HD23 ' C ' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -125.28 140.01 53.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.2 mp -134.4 118.02 25.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 35' ' ' GLN . 55.8 t -91.41 94.31 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -49.15 -59.82 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.458 ' OD2' ' HB2' ' A' ' 37' ' ' ALA . 9.4 t0 -83.04 48.21 1.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.428 ' N ' HG12 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -41.99 -42.94 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 37' ' ' ALA . 5.2 tp -52.19 -47.28 65.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.458 ' HB2' ' OD2' ' A' ' 34' ' ' ASP . . . -37.28 -53.82 1.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.583 HG12 ' HD2' ' A' ' 42' ' ' LYS . 58.6 t -57.74 -45.78 86.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.092 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.2 -51.08 57.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -58.39 -55.21 37.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.432 ' CD1' ' HD2' ' A' ' 53' ' ' ARG . 28.6 tp -49.74 -40.26 40.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.583 ' HD2' HG12 ' A' ' 38' ' ' VAL . 31.8 mttt -64.38 -47.54 78.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -62.66 -35.93 81.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 7.5 m -60.17 -48.68 80.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.62 HD12 HD22 ' A' ' 14' ' ' LEU . 58.1 mt -61.72 -60.24 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -50.82 -51.21 53.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.46 ' HB3' HG22 ' A' ' 49' ' ' THR . 9.6 mtpm? -70.32 -2.23 12.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt 44.71 44.45 7.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.888 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.6 ' O ' HG23 ' A' ' 49' ' ' THR . 10.9 t -154.5 112.53 3.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 18.8 mmt -78.93 85.92 4.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -56.72 -40.23 75.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 130.1 77.18 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.432 ' HD2' ' CD1' ' A' ' 41' ' ' LEU . 23.0 mtp85 -44.55 123.47 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 110.871 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.9 m -114.53 39.73 2.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.0 m -168.24 129.34 1.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -82.89 135.89 34.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.0 t -66.7 99.4 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.092 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.422 ' HE1' ' HB1' ' A' ' 78' ' ' ALA . 21.5 t80 -105.56 119.37 38.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -141.01 134.94 30.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 54.7 m -106.29 132.51 52.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 58.3 mt -106.43 130.35 58.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.404 ' HB3' ' CE ' ' A' ' 74' ' ' MET . 27.0 m120 -101.66 114.96 29.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 70.3 mtp -120.44 123.97 44.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 64' ' ' ASN . 0.6 OUTLIER -98.91 114.29 26.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.647 HD13 ' HA ' ' A' ' 133' ' ' ARG . 0.5 OUTLIER -128.87 145.79 51.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.03 127.25 32.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.612 HG23 ' N ' ' A' ' 68' ' ' SER . 33.6 m -99.94 -50.88 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.612 ' N ' HG23 ' A' ' 67' ' ' VAL . 1.8 m -173.13 174.88 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 47.5 50.54 14.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 41.02 30.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -123.84 162.8 22.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.427 ' HE2' ' HB2' ' A' ' 64' ' ' ASN . 5.6 ptm -134.13 171.37 14.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -138.78 165.54 26.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.404 ' CE ' ' HB3' ' A' ' 62' ' ' ASN . 3.2 tpt -93.94 118.73 31.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -105.15 119.4 38.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.8 m -98.63 128.2 44.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.571 HD21 HG21 ' A' ' 132' ' ' VAL . 6.7 mp -116.18 93.54 4.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.422 ' HB1' ' HE1' ' A' ' 58' ' ' TYR . . . -74.16 101.12 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.3 t -109.9 124.39 51.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 67.0 mt -113.49 133.04 60.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.465 HD12 HD21 ' A' ' 17' ' ' LEU . 54.2 mt -104.42 107.98 59.25 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.594 0.712 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -177.49 1.9 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.723 2.282 . . . . 0.0 112.364 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -92.67 26.85 2.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.615 ' HD2' HG11 ' A' ' 88' ' ' VAL . 7.4 mttt -119.63 -47.15 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.694 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.1 t80 -28.25 140.43 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.684 0.754 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.694 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.3 Cg_endo -69.75 -8.01 10.27 Favored 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.288 -0.048 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.48 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -33.48 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.089 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.615 HG11 ' HD2' ' A' ' 84' ' ' LYS . 2.3 m -104.36 129.96 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.1 mt -52.99 154.09 5.51 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.62 0.724 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.631 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.7 Cg_endo -69.78 176.24 7.05 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 91' ' ' GLU . 1.0 OUTLIER -112.18 83.81 1.86 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 36.6 mt -89.35 124.55 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.7 m -123.78 104.26 8.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.475 ' O ' ' CG ' ' A' ' 104' ' ' GLN . 21.9 t -75.45 126.21 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -137.22 140.56 41.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.5 t -157.54 137.34 12.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.582 HG23 ' CD2' ' A' ' 98' ' ' LEU . 27.7 m -59.32 -31.39 46.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.582 ' CD2' HG23 ' A' ' 97' ' ' VAL . 1.5 mm? -66.04 -55.48 16.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.41 154.68 31.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.8 t -88.06 155.8 19.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -48.23 -39.24 20.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.0 m -77.99 -55.67 5.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 104' ' ' GLN . 51.3 mt-30 -50.15 -62.99 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.489 ' O ' ' ND2' ' A' ' 108' ' ' ASN . 4.3 tp60 -34.7 -53.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.417 ' HA ' ' OD1' ' A' ' 108' ' ' ASN . 92.8 m -51.6 -58.5 6.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -42.13 -39.13 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.502 HD23 ' N ' ' A' ' 108' ' ' ASN . 10.3 tt -64.53 -73.13 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.502 ' N ' HD23 ' A' ' 107' ' ' LEU . 0.9 OUTLIER -45.2 -41.09 7.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.3 m -48.94 -37.1 19.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -87.81 -36.93 16.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.765 HD11 ' HB1' ' A' ' 128' ' ' ALA . 7.0 tp -48.21 -44.07 32.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 113' ' ' ALA . 91.5 m -67.48 -60.02 2.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 112' ' ' THR . . . -36.63 -45.96 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -44.59 -54.74 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 116' ' ' GLN . 11.4 mt -64.08 -50.32 68.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 115' ' ' LEU . 90.3 mt-30 -35.47 -38.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.02 -61.65 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -59.12 -62.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 12.7 m -100.69 104.61 15.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -131.23 97.64 4.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 93.77 33.5 7.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.439 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.79 -179.22 6.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.571 ' O ' HG23 ' A' ' 123' ' ' VAL . 33.3 m -113.19 112.65 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.8 m -162.06 105.16 1.17 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 46.5 mm -95.4 -50.61 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 127' ' ' ASN . 20.8 mt -44.62 -55.39 5.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 126' ' ' LEU . 4.8 m120 -34.44 -40.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.765 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -69.31 -52.14 30.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 67.2 p -53.95 -27.47 31.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.117 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -78.06 -23.81 47.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.599 ' CE3' ' O ' ' A' ' 131' ' ' TRP . 32.8 t90 -85.8 -12.76 50.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.651 ' CG2' HD22 ' A' ' 111' ' ' LEU . 71.1 t -92.33 -56.3 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.174 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.647 ' HA ' HD13 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -48.61 -19.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -94.43 -64.42 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 138' ' ' GLY . 5.9 m-70 -55.33 -47.82 75.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -34.7 -70.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.438 ' HA ' HG23 ' A' ' 140' ' ' VAL . 86.2 p -39.95 -34.95 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.816 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -60.78 -54.07 40.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -57.94 -45.78 86.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.933 0.397 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.438 HG23 ' HA ' ' A' ' 137' ' ' SER . 0.0 OUTLIER -76.5 120.01 25.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.132 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 19.6 t -147.17 127.67 14.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 19.5 mmm-85 57.91 48.5 13.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -41.95 -48.57 4.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.9 t -38.27 149.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.185 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.5 -25.14 17.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.3 t 45.23 47.36 10.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 62.3 p -102.38 -57.08 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 121.93 148.97 7.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -2.35 9.97 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.743 2.295 . . . . 0.0 112.34 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 68.1 m -48.85 104.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.2 t 62.81 45.82 5.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.453 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.0 m -135.46 107.47 7.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.36 . . . . 0.0 110.858 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 t -87.89 -63.31 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.94 82.76 1.29 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 p -100.71 130.57 46.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.903 0.382 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -101.0 -36.34 9.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.446 ' HA3' ' HE2' ' A' ' 50' ' ' MET . . . -92.93 60.93 2.32 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -49.91 -54.24 20.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.775 0.321 . . . . 0.0 110.911 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 12' ' ' ALA . 43.2 mt-30 -44.16 -67.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.411 ' HB2' ' HE3' ' A' ' 50' ' ' MET . . . -37.99 -39.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -75.19 -37.93 61.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 9' ' ' GLN . . . -48.56 -50.42 32.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -65.21 -62.1 1.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.546 ' HA ' HD12 ' A' ' 17' ' ' LEU . 46.9 tp -40.97 -62.91 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.05 -52.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -57.16 -51.4 69.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 14' ' ' LEU . 41.1 mt -51.02 -64.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -36.31 -49.36 0.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 tt -55.12 -60.53 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' MET . 22.4 mt -42.44 -64.7 0.56 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.41 -41.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 m -73.99 -44.38 54.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 20' ' ' LEU . 39.7 mmm -60.34 -39.11 85.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -109.47 81.83 1.94 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -42.17 3.56 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.709 2.272 . . . . 0.0 112.309 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.57 132.25 26.46 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 28' ' ' ASN . 2.4 pm0 -56.75 -34.04 67.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.877 0.37 . . . . 0.0 110.868 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.438 ' HA ' HD11 ' A' ' 31' ' ' ILE . 16.4 t-20 -83.51 -38.83 21.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -38.65 -47.79 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.592 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -142.24 128.84 20.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.438 HD11 ' HA ' ' A' ' 28' ' ' ASN . 5.3 mp -124.7 119.1 55.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.1 t -96.05 105.98 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.072 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.508 ' HB2' ' CD2' ' A' ' 58' ' ' TYR . 55.8 m-80 -73.46 -48.15 35.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -84.77 88.73 7.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -76.6 -41.78 44.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.98 -54.12 39.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -41.81 -61.94 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.424 ' CG1' ' HE3' ' A' ' 42' ' ' LYS . 93.9 t -49.52 -57.09 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.35 -40.73 50.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.1 -41.95 98.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 tp -54.22 -51.66 63.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.424 ' HE3' ' CG1' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -56.59 -51.38 68.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.813 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -57.65 -42.93 84.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 48' ' ' LYS . 3.5 t -52.3 -56.53 14.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.0 mt -50.78 -58.72 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -53.65 -39.45 65.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -78.84 -20.32 49.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 44' ' ' CYS . 26.0 mtmt 44.29 48.82 7.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.6 t -124.07 -17.09 6.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.446 ' HE2' ' HA3' ' A' ' 7' ' ' GLY . 0.0 OUTLIER 43.06 51.49 5.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.936 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -108.15 -30.13 8.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.47 ' O ' ' C ' ' A' ' 53' ' ' ARG . . . -60.71 -97.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.447 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.582 ' HB3' ' CD1' ' A' ' 83' ' ' PHE . 7.3 mmt85 30.87 42.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 110.885 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' GLY . 6.4 t -82.46 -39.84 21.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.2 m -118.12 144.59 45.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -79.8 145.18 32.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.4 t -73.64 97.84 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.508 ' CD2' ' HB2' ' A' ' 33' ' ' ASN . 24.3 t80 -100.5 123.32 44.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -150.41 127.34 11.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.1 m -94.2 146.13 24.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.0 mt -122.24 124.57 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.419 ' HB3' ' HE3' ' A' ' 74' ' ' MET . 30.4 m120 -97.18 123.49 40.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 26.6 mtm -129.88 116.04 18.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -83.9 134.21 34.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.82 152.48 41.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -75.54 77.58 2.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.727 HG13 ' H ' ' A' ' 68' ' ' SER . 0.4 OUTLIER -51.03 -71.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.727 ' H ' HG13 ' A' ' 67' ' ' VAL . 6.1 t -174.09 -179.62 1.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 56.91 50.18 12.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 42.98 30.13 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -137.19 173.31 11.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.547 ' HA ' HG12 ' A' ' 67' ' ' VAL . 3.6 ptm -132.45 156.99 45.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.725 ' HB2' HD11 ' A' ' 98' ' ' LEU . . . -126.58 171.19 11.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.419 ' HE3' ' HB3' ' A' ' 62' ' ' ASN . 68.6 mtp -112.95 131.43 55.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.916 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 10.7 m-85 -110.3 116.55 31.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 72.8 p -88.9 113.74 24.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.479 HD11 HG11 ' A' ' 132' ' ' VAL . 5.0 mp -102.23 96.01 6.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.84 93.63 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.061 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 60.1 m -91.19 140.36 29.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 78.3 mt -140.53 115.52 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.636 HD21 HD11 ' A' ' 125' ' ' ILE . 76.2 mt -88.28 119.84 70.36 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.627 0.727 . . . . 0.0 110.921 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.492 ' HG3' HG23 ' A' ' 88' ' ' VAL . 54.0 Cg_endo -69.73 -175.27 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.261 . . . . 0.0 112.361 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.582 ' CD1' ' HB3' ' A' ' 53' ' ' ARG . 27.2 m-85 -99.06 27.34 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.57 ' HB2' HG22 ' A' ' 88' ' ' VAL . 1.8 mtpp -128.65 -39.28 1.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.687 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.6 t80 -28.32 141.39 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.659 0.742 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.687 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.7 Cg_endo -69.79 -8.89 10.8 Favored 'Cis proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.356 -0.061 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.54 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -30.87 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.57 HG22 ' HB2' ' A' ' 84' ' ' LYS . 4.3 m -104.43 127.21 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.439 HD11 ' HA ' ' A' ' 116' ' ' GLN . 28.1 mt -46.59 158.67 0.39 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.595 0.712 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.612 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.1 Cg_endo -69.73 178.71 4.28 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.642 2.228 . . . . 0.0 112.343 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -119.78 68.92 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 69.8 mt -75.9 131.63 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.44 HG22 ' HD3' ' A' ' 95' ' ' ARG . 30.6 m -125.01 98.08 5.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.538 ' HB ' HD22 ' A' ' 107' ' ' LEU . 4.8 t -73.51 132.07 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.44 ' HD3' HG22 ' A' ' 93' ' ' THR . 13.7 mmm180 -130.63 155.19 46.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.529 ' HB3' HD12 ' A' ' 99' ' ' LEU . 34.8 t -171.54 124.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.401 ' CG1' ' N ' ' A' ' 98' ' ' LEU . 1.9 p -56.65 -37.97 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.091 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.725 HD11 ' HB2' ' A' ' 73' ' ' ALA . 22.3 mt -60.51 -47.22 87.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' A' ' 96' ' ' SER . 19.7 mt -59.97 153.54 21.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.5 m -94.3 174.87 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -58.22 -42.74 86.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.1 m -75.62 -61.27 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -42.33 -65.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -39.8 -53.05 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 28.9 m -49.39 -63.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -41.0 -51.97 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.569 ' C ' HD23 ' A' ' 107' ' ' LEU . 8.1 tt -52.28 -58.56 6.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -42.09 -49.34 4.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 54.9 m -63.45 -47.97 79.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 111' ' ' LEU . 6.7 m-20 -56.81 -59.88 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.577 HD13 HG23 ' A' ' 132' ' ' VAL . 18.2 tp -36.44 -57.49 0.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 60.3 m -51.54 -53.86 33.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -41.6 -57.66 2.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.537 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 22.4 t80 -38.92 -57.01 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 117' ' ' LYS . 49.1 mt -61.47 -53.81 51.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.439 ' HA ' HD11 ' A' ' 89' ' ' LEU . 54.9 mt-30 -36.06 -32.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 115' ' ' LEU . 9.6 ttmt -99.08 -64.23 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -51.8 -51.46 56.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.803 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 8.6 t -120.77 105.55 10.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -130.73 78.31 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 119.87 27.44 2.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -147.05 175.75 10.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.564 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 34.5 m -105.27 115.15 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 5.2 m -160.92 105.76 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.636 HD11 HD21 ' A' ' 81' ' ' LEU . 19.5 mm -93.85 -44.16 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 22.6 mt -52.8 -47.73 67.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.537 ' OD1' ' CZ ' ' A' ' 114' ' ' PHE . 8.5 t-20 -44.61 -28.95 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.488 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -82.88 -45.31 14.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 59.5 p -61.25 -27.12 68.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -81.34 -17.99 47.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.577 ' CE3' ' O ' ' A' ' 131' ' ' TRP . 8.5 t90 -93.26 -14.68 26.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.577 HG23 HD13 ' A' ' 111' ' ' LEU . 21.1 t -94.01 -57.49 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 132' ' ' VAL . 6.6 ptm180 -36.74 -29.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 132' ' ' VAL . 32.7 tt0 -90.67 -54.7 3.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.453 ' O ' ' C ' ' A' ' 136' ' ' ALA . 30.0 m80 -62.92 -55.55 24.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.916 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -33.89 -68.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.065 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.3 m -51.44 -38.26 52.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -55.64 -47.97 74.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.505 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.568 ' CD2' HD12 ' A' ' 107' ' ' LEU . 68.8 m-85 -56.96 -53.59 56.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.917 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.48 HG11 ' CG2' ' A' ' 67' ' ' VAL . 89.5 t -42.93 115.72 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 6.8 m -121.79 34.71 5.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.822 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.51 ' HG2' HG22 ' A' ' 144' ' ' THR . 28.0 ttm180 -111.39 101.12 9.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -103.42 46.5 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.51 HG22 ' HG2' ' A' ' 142' ' ' ARG . 11.2 t -123.43 149.91 44.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 64.0 p -138.64 146.29 41.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 58.9 m -116.08 150.95 36.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.822 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.9 m -169.57 159.41 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 175.58 128.55 1.12 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.436 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -5.65 16.71 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.243 . . . . 0.0 112.361 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 14.8 t -65.65 139.78 58.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 39.0 m -102.7 -49.71 3.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 p -89.59 157.01 18.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 110.855 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 m -108.42 89.64 3.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.08 -171.58 12.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.4 p -130.03 148.3 51.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.886 0.374 . . . . 0.0 110.852 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -57.67 150.07 20.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.83 99.0 2.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.96 -57.1 14.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.762 0.315 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -42.94 -58.57 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.41 -40.44 1.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -75.72 -41.03 54.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.74 -48.97 10.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -68.81 -61.4 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.87 ' HA ' HD12 ' A' ' 17' ' ' LEU . 19.0 tp -44.96 -62.53 1.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.3 -62.82 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.061 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -49.8 -55.25 14.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.87 HD12 ' HA ' ' A' ' 14' ' ' LEU . 20.0 mt -43.78 -54.17 5.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -53.49 -41.67 66.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.434 HD11 ' SD ' ' A' ' 23' ' ' MET . 10.7 tp -65.94 -50.98 62.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.7 mt -46.48 -52.32 13.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.05 -45.81 1.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.043 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -79.7 -35.79 38.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.434 ' SD ' HD11 ' A' ' 19' ' ' LEU . 82.4 mmm -52.51 -34.38 49.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -110.84 77.0 1.28 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.617 0.722 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' GLY . 53.7 Cg_endo -69.74 -31.79 19.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.257 . . . . 0.0 112.323 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' PRO . . . -38.12 151.86 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.478 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -74.55 128.63 36.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.824 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 57.19 43.36 24.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -86.58 -69.25 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.531 HD21 HG23 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -103.59 135.86 44.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.37 120.26 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.531 HG23 HD21 ' A' ' 30' ' ' LEU . 86.5 t -100.0 94.34 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -62.9 -45.81 90.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -85.23 58.61 5.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -56.0 -42.26 76.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.966 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.5 tp -55.11 -49.57 71.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.469 ' HB1' ' O ' ' A' ' 55' ' ' SER . . . -42.45 -53.35 4.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.49 HG12 ' NZ ' ' A' ' 42' ' ' LYS . 25.9 t -61.41 -41.12 88.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.6 -45.84 84.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -60.06 -38.92 84.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.601 HD23 ' HB2' ' A' ' 14' ' ' LEU . 14.7 tp -52.83 -48.9 66.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.49 ' NZ ' HG12 ' A' ' 38' ' ' VAL . 0.8 OUTLIER -54.08 -58.73 6.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.827 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -42.42 -47.51 5.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 74.5 m -54.31 -49.96 68.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 24.2 mt -61.58 -55.63 23.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -52.08 -48.78 64.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.42 ' HB3' HG22 ' A' ' 49' ' ' THR . 32.2 mttp -74.62 -8.23 55.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.4 mttp 38.91 43.48 0.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.42 HG22 ' HB3' ' A' ' 47' ' ' LYS . 2.9 t -119.54 -15.12 9.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 47.17 49.62 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -48.9 -57.58 6.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.87 129.31 2.65 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.515 ' HG2' ' CE1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -104.23 148.57 26.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.328 . . . . 0.0 110.907 -179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.2 t -118.64 -18.68 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.787 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.469 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 19.1 m -94.18 102.27 14.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.481 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 29.0 mttt -63.8 128.86 37.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.4 t -56.0 97.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -103.39 123.15 46.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.402 ' CB ' HG22 ' A' ' 32' ' ' VAL . 25.0 p90 -149.69 132.08 15.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.4 m -100.38 140.4 34.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.2 mt -113.49 129.58 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.486 ' C ' ' HE3' ' A' ' 74' ' ' MET . 77.2 m-20 -106.33 114.07 27.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.49 ' N ' ' HE3' ' A' ' 74' ' ' MET . 26.6 mtp -117.64 114.16 22.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -80.55 110.84 16.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.666 HD13 ' HA ' ' A' ' 133' ' ' ARG . 0.4 OUTLIER -138.57 162.44 34.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -73.01 147.82 44.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.928 ' HB ' HG11 ' A' ' 140' ' ' VAL . 23.3 m -125.23 -50.11 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.553 ' N ' HG23 ' A' ' 67' ' ' VAL . 27.3 p -167.63 176.97 6.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 70' ' ' GLU . 69.7 m-20 37.65 53.83 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 69' ' ' ASP . 27.8 tt0 35.01 43.24 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -119.32 167.58 11.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 17.2 mtp -122.2 158.5 29.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.599 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -155.47 163.47 39.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.49 ' HE3' ' N ' ' A' ' 63' ' ' MET . 1.9 tpt -95.95 144.5 26.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -121.54 109.8 15.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.3 m -83.72 119.66 25.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.504 ' HG ' HG22 ' A' ' 94' ' ' VAL . 5.1 mp -112.9 94.68 5.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.41 ' HB3' ' HB ' ' A' ' 93' ' ' THR . . . -73.0 96.4 2.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 53.5 t -102.28 127.7 49.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.481 ' CG2' ' HB3' ' A' ' 56' ' ' LYS . 85.6 mt -126.17 103.36 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.642 HD12 HD21 ' A' ' 17' ' ' LEU . 18.5 mt -74.03 120.64 82.35 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.639 0.733 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -170.8 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.515 ' CE1' ' HG2' ' A' ' 53' ' ' ARG . 29.0 m-85 -92.75 -11.59 33.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.489 ' O ' ' C ' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -88.22 -39.35 14.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.75 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 3.7 t80 -30.48 142.42 0.1 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.644 0.735 . . . . 0.0 110.94 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.75 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.6 Cg_endo -69.77 -8.91 10.78 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.349 -0.051 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.491 ' C ' ' O ' ' A' ' 86' ' ' PRO . . . -29.11 -72.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.475 HG22 ' HD3' ' A' ' 84' ' ' LYS . 3.0 m -107.45 126.67 63.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.8 mt -44.46 158.0 0.29 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.627 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.2 Cg_endo -69.76 -172.92 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.663 2.242 . . . . 0.0 112.35 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -121.98 60.64 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.9 mt -65.29 132.31 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.41 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 85.3 m -125.93 98.42 5.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.559 ' CG2' HD22 ' A' ' 111' ' ' LEU . 20.7 t -73.36 134.21 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -143.08 158.13 43.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -171.77 132.51 0.72 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.4 m -56.42 -27.45 24.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.602 HD13 HG21 ' A' ' 67' ' ' VAL . 27.3 mt -67.12 -55.05 15.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.512 HD12 ' OE1' ' A' ' 104' ' ' GLN . 8.6 mt -64.66 167.5 7.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.95 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.2 m -106.33 171.26 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.408 ' C ' ' HD3' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -63.04 -14.35 47.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.9 m -94.48 -62.37 1.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -51.78 -56.15 15.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.512 ' OE1' HD12 ' A' ' 99' ' ' LEU . 18.8 tp60 -46.03 -44.54 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 92.5 m -59.18 -53.23 60.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -55.39 -40.16 71.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.615 HD12 ' CD2' ' A' ' 139' ' ' TYR . 8.1 tt -60.88 -43.99 97.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -63.65 -47.42 81.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 58.5 m -47.43 -38.31 13.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -81.91 -45.8 14.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.559 HD22 ' CG2' ' A' ' 94' ' ' VAL . 18.6 tp -45.09 -42.28 8.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 95.8 m -71.61 -47.58 53.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.56 -45.73 73.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.495 ' CD1' ' CD1' ' A' ' 131' ' ' TRP . 45.6 t80 -42.57 -67.34 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.664 HD11 ' HB2' ' A' ' 128' ' ' ALA . 15.5 mt -53.87 -55.92 22.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 115' ' ' LEU . 14.7 mm-40 -34.78 -37.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 115' ' ' LEU . 18.3 ttpt -97.98 -64.93 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -52.0 -60.78 2.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 8.0 m -127.62 113.41 16.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -150.36 113.47 4.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 130.89 -28.58 3.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.19 165.87 13.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.671 HG12 ' CE2' ' A' ' 85' ' ' TYR . 15.9 m -74.8 100.47 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 68.6 m -134.91 86.46 2.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.6 mm -90.07 -37.4 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.78 -30.2 71.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -59.94 -41.51 91.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.664 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -64.1 -53.6 47.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 61.0 p -51.31 -42.18 61.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.179 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -64.39 -22.91 67.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.609 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 20.7 t90 -85.7 -23.86 27.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.468 HG21 HD21 ' A' ' 77' ' ' LEU . 96.0 t -81.93 -59.24 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.666 ' HA ' HD13 ' A' ' 65' ' ' LEU . 7.3 ptt180 -40.28 -28.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 132' ' ' VAL . 4.6 tp10 -90.84 -64.25 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.609 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 5.4 m-70 -52.2 -53.73 39.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.98 -69.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 52.9 p -37.51 -40.54 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -63.09 -54.33 33.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.615 ' CD2' HD12 ' A' ' 107' ' ' LEU . 77.8 m-85 -55.78 -53.21 59.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.918 0.389 . . . . 0.0 110.945 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.928 HG11 ' HB ' ' A' ' 67' ' ' VAL . 59.8 t -48.35 115.02 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.3 t -163.15 121.85 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 35.8 ttt85 -91.42 86.64 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.41 -57.16 3.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 8.9 t -63.34 144.21 57.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.148 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 146' ' ' SER . 22.7 t -73.69 -60.73 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 145' ' ' SER . 77.4 p 37.19 44.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 84.6 p -139.3 154.75 47.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.803 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -171.1 141.5 6.51 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -8.53 23.85 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 8.6 t -39.35 131.34 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 26.3 t -128.8 81.96 2.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.526 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 p -152.73 170.97 18.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.9 0.381 . . . . 0.0 110.828 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -60.13 99.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.829 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.19 -60.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.461 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 m -98.71 160.36 14.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.939 0.4 . . . . 0.0 110.825 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m -91.59 97.39 11.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.76 -49.99 1.32 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -46.69 -34.31 5.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -42.03 -53.01 4.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.726 ' HB2' ' NH2' ' A' ' 53' ' ' ARG . . . -51.64 -50.47 60.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -61.86 -40.6 95.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -46.03 -42.64 13.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -80.43 -49.52 11.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 15' ' ' ALA . 18.2 tp -53.84 -62.34 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.88 -52.82 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -56.96 -58.97 5.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.3 mt -45.92 -58.79 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -46.87 -41.04 15.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.5 tp -69.61 -49.49 53.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' ALA . 32.9 mt -49.46 -60.02 3.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -35.41 -47.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.0 m -74.96 -45.3 43.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 86.0 mmm -46.01 -38.82 8.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -108.38 79.21 0.94 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.612 0.72 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -21.74 33.1 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.26 . . . . 0.0 112.333 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -44.64 163.93 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.484 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -80.73 -40.08 25.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.933 0.397 . . . . 0.0 110.919 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -123.21 50.56 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -102.41 -37.7 7.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.576 HD23 ' C ' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -144.63 146.36 32.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.4 mp -142.79 124.19 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.475 HG12 ' O ' ' A' ' 32' ' ' VAL . 23.5 t -98.64 95.48 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -65.71 -50.97 62.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -88.14 87.97 7.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.81 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -78.06 -41.41 35.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tp -43.45 -57.62 2.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -38.1 -50.85 1.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 79.7 t -66.69 -58.97 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.119 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -37.97 -53.39 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -60.47 -43.59 96.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.411 HD13 ' HD2' ' A' ' 53' ' ' ARG . 28.3 tp -48.18 -49.85 31.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.5 -44.91 96.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -56.42 -43.15 79.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 50' ' ' MET . 1.4 t -60.46 -52.48 65.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.0 mt -61.01 -54.26 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -51.37 -49.93 60.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.48 ' HB3' HG22 ' A' ' 49' ' ' THR . 22.0 mtpp -67.74 -3.03 8.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.8 mttt 50.57 40.85 24.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.48 HG22 ' HB3' ' A' ' 47' ' ' LYS . 4.3 t -146.19 116.13 7.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.424 ' HA ' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -82.3 87.31 6.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -83.31 -34.52 25.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 129.82 125.09 2.68 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.524 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.726 ' NH2' ' HB2' ' A' ' 10' ' ' ALA . 8.1 mmt85 -51.84 148.96 5.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 0.0 110.92 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.9 p -86.25 -40.37 15.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 m -158.45 155.07 27.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.479 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 6.3 mtmm -65.24 137.81 57.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.9 t -73.26 102.16 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -98.28 115.17 27.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 29.6 p90 -143.08 120.08 11.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.442 ' CG2' ' HB3' ' A' ' 76' ' ' SER . 25.7 m -91.25 138.68 31.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.143 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.2 mt -113.48 123.46 69.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -97.71 120.15 37.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 35.2 mtp -124.36 110.38 14.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -80.35 128.09 33.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 133' ' ' ARG . 0.8 OUTLIER -142.72 149.17 38.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.14 131.25 35.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 137' ' ' SER . 5.1 m -109.04 -43.52 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.8 p -175.07 173.74 2.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.817 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 71' ' ' LYS . 2.2 t70 49.1 50.37 18.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 38.55 28.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -114.63 -179.14 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.2 ptm -153.94 160.48 42.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.817 ' HB2' HD11 ' A' ' 98' ' ' LEU . . . -129.8 158.84 38.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 22.9 ttm -90.35 125.92 35.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.682 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 25.3 m-85 -108.3 105.88 15.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.442 ' HB3' ' CG2' ' A' ' 60' ' ' THR . 16.2 m -86.1 124.33 32.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.2 mp -112.46 94.15 4.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.409 ' HB3' ' HB ' ' A' ' 93' ' ' THR . . . -72.14 95.77 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 28.5 m -98.08 121.66 40.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.479 ' CG2' ' HB3' ' A' ' 56' ' ' LYS . 86.8 mt -125.96 119.25 54.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.438 HD23 ' HB3' ' A' ' 90' ' ' PRO . 34.5 mt -86.63 110.03 28.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.732 . . . . 0.0 110.936 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.401 ' HA ' ' HG2' ' A' ' 56' ' ' LYS . 53.3 Cg_endo -69.71 179.29 3.77 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.378 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 53' ' ' ARG . 2.9 m-85 -82.69 20.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.798 ' HB2' HG22 ' A' ' 88' ' ' VAL . 21.2 mmtt -115.27 -50.15 2.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.726 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.9 t80 -27.34 140.87 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.672 0.749 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.726 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 54.1 Cg_endo -69.79 -9.17 10.94 Favored 'Cis proline' 0 C--N 1.341 0.14 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.31 0.004 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.501 ' HB3' ' HB3' ' A' ' 84' ' ' LYS . . . -33.33 -76.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.798 HG22 ' HB2' ' A' ' 84' ' ' LYS . 2.5 m -99.5 129.52 49.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.563 HD12 ' HG2' ' A' ' 116' ' ' GLN . 59.3 mt -48.24 157.64 0.65 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.706 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.624 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.2 Cg_endo -69.76 156.46 63.28 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.636 2.224 . . . . 0.0 112.376 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -90.82 77.83 6.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 31.5 mt -83.7 106.81 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.409 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 85.6 m -102.76 108.72 20.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.2 t -81.38 132.65 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -131.68 149.61 52.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.542 ' HB3' HD12 ' A' ' 99' ' ' LEU . 43.7 t -172.7 134.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.589 HG13 HD23 ' A' ' 98' ' ' LEU . 4.3 p -64.2 -32.72 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.13 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.817 HD11 ' HB2' ' A' ' 73' ' ' ALA . 15.6 mt -65.84 -43.15 89.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.542 HD12 ' HB3' ' A' ' 96' ' ' SER . 49.8 mt -70.19 138.29 51.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.4 t -83.65 152.84 24.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -45.95 -34.76 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.1 m -78.19 -54.48 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -53.47 -55.66 23.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -40.35 -53.67 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 89.1 m -45.78 -61.33 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -49.82 -55.03 15.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.439 HD12 ' CD2' ' A' ' 139' ' ' TYR . 10.6 tt -42.79 -60.2 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -50.13 -51.82 40.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 23.0 m -43.45 -42.62 4.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.552 ' HB3' ' CH2' ' A' ' 131' ' ' TRP . 0.7 OUTLIER -75.27 -56.85 4.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.717 HD13 HG23 ' A' ' 132' ' ' VAL . 11.1 tp -36.63 -60.16 0.62 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.0 m -56.54 -49.46 74.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -48.58 -53.76 17.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 113' ' ' ALA . 8.0 t80 -35.47 -60.6 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.656 HD11 ' HB2' ' A' ' 128' ' ' ALA . 6.2 mt -58.56 -51.33 70.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.563 ' HG2' HD12 ' A' ' 89' ' ' LEU . 40.6 mt-30 -45.4 -32.8 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -64.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -92.42 -65.04 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 86.0 m -71.06 90.81 0.86 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -143.14 116.67 9.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 97.46 -18.64 57.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.477 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.43 160.45 17.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.481 ' O ' HG23 ' A' ' 123' ' ' VAL . 15.7 m -84.53 110.94 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 28.1 m -154.55 105.29 2.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.449 ' CD1' ' HG3' ' A' ' 90' ' ' PRO . 47.1 mm -96.09 -50.99 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 127' ' ' ASN . 12.6 mt -45.23 -50.97 11.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 126' ' ' LEU . 9.8 m120 -36.65 -43.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.669 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -63.86 -51.58 63.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 30.1 p -55.28 -33.82 63.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -70.17 -29.06 65.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.562 ' CE3' ' O ' ' A' ' 131' ' ' TRP . 24.0 t90 -82.74 -22.42 34.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.717 HG23 HD13 ' A' ' 111' ' ' LEU . 98.9 t -87.97 -56.53 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.464 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 10.8 ptp180 -38.43 -26.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 132' ' ' VAL . 4.3 tp10 -95.26 -64.52 1.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.461 ' O ' ' C ' ' A' ' 136' ' ' ALA . 37.9 m-70 -53.61 -51.38 63.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.682 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -33.26 -70.32 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.484 ' HA ' HG12 ' A' ' 67' ' ' VAL . 21.9 m -45.51 -41.79 10.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -53.92 -54.27 32.05 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.439 ' CD2' HD12 ' A' ' 107' ' ' LEU . 68.2 m-85 -54.33 -53.46 53.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.946 0.403 . . . . 0.0 110.888 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 52.1 t -47.82 123.11 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 142' ' ' ARG . 36.2 m -109.82 136.65 48.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 141' ' ' SER . 15.2 ttm180 -35.46 123.29 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.35 109.47 11.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 80.5 p -91.09 146.97 23.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 79.5 p -157.35 115.17 3.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.1 t -72.21 119.02 15.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 38.4 p -102.97 134.27 46.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -67.65 120.16 12.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 161.54 45.54 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.64 2.226 . . . . 0.0 112.313 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.3 m -158.86 127.97 5.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 57.2 p -52.56 133.56 35.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.474 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 m -90.98 160.75 15.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.883 0.373 . . . . 0.0 110.831 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -45.99 133.3 8.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.803 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.42 -125.45 1.21 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -48.01 136.93 10.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.929 0.395 . . . . 0.0 110.794 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -122.02 98.93 6.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.81 45.67 3.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.459 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -55.32 -37.28 67.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -45.38 -51.79 10.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.99 -42.69 38.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -69.3 -42.22 75.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -47.07 -51.36 17.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -67.73 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.756 HD11 ' HD2' ' A' ' 42' ' ' LYS . 54.1 tp -40.05 -59.93 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.36 -59.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -52.67 -55.4 22.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.42 HD11 HD12 ' A' ' 81' ' ' LEU . 57.7 mt -47.44 -63.89 0.93 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -41.04 -55.84 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.554 HD23 ' HG2' ' A' ' 23' ' ' MET . 3.4 tt -51.47 -62.68 1.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 23' ' ' MET . 18.4 mt -36.01 -59.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.69 -43.18 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.162 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 t -76.45 -39.7 52.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.554 ' HG2' HD23 ' A' ' 19' ' ' LEU . 91.2 mmm -53.49 -39.18 64.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -109.08 77.43 0.86 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 26' ' ' GLY . 53.6 Cg_endo -69.75 -20.46 34.84 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.366 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' PRO . . . -34.32 149.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' ' 28' ' ' ASN . 0.4 OUTLIER -72.25 -35.95 68.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 110.843 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.442 ' N ' ' HG2' ' A' ' 27' ' ' GLU . 3.7 m120 -133.3 47.2 2.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -97.03 -73.24 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.59 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -96.13 128.72 43.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.1 mp -127.37 127.99 69.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.0 p -111.51 125.36 68.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -86.86 -50.85 6.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -88.44 89.84 8.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -81.98 -38.76 24.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.4 tp -45.73 -55.37 6.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.08 -45.92 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.097 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.72 HG12 ' HE2' ' A' ' 42' ' ' LYS . 54.2 t -69.26 -60.45 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -40.01 -47.28 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -67.59 -37.77 83.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.45 HD23 ' HB2' ' A' ' 14' ' ' LEU . 12.6 tp -56.47 -22.16 30.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.756 ' HD2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -83.38 -37.35 23.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.816 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -76.07 -50.31 15.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 45' ' ' ILE . 1.4 p -41.12 -41.5 1.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.444 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 34.9 mt -67.03 -50.67 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -58.05 -41.57 83.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -77.73 -23.25 49.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp 55.86 43.7 27.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.968 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.3 t -125.87 -12.27 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.493 ' N ' ' SD ' ' A' ' 50' ' ' MET . 0.0 OUTLIER 44.71 49.36 8.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -92.36 -45.04 8.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.5 ' O ' ' C ' ' A' ' 53' ' ' ARG . . . -58.06 -115.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.5 ' C ' ' O ' ' A' ' 52' ' ' GLY . 6.9 mtp-105 29.26 51.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.1 m -85.97 -35.57 20.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.1 m -108.41 159.42 16.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -85.43 130.52 34.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.08 97.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.169 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -97.65 122.15 40.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.546 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 40.1 p90 -155.44 126.07 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.486 HG22 ' N ' ' A' ' 61' ' ' ILE . 27.6 m -96.39 158.94 15.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.486 ' N ' HG22 ' A' ' 60' ' ' THR . 85.5 mt -133.58 127.27 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -103.91 121.04 42.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.3 mtm -124.25 123.27 39.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -85.31 114.41 22.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.531 HD13 ' HA ' ' A' ' 133' ' ' ARG . 1.4 mt -142.66 162.19 36.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -85.13 151.54 24.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.6 m -121.42 -45.23 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.0 t -173.74 171.21 3.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 49.76 37.49 13.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 48.96 31.06 3.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -101.37 169.87 8.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.2 mtp -128.72 153.01 47.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.621 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -156.84 156.07 32.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 47.0 mtp -87.63 148.7 24.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.543 ' HZ ' HG21 ' A' ' 140' ' ' VAL . 16.8 m-85 -129.65 106.26 8.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.5 p -82.02 128.93 34.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.489 HD21 HG21 ' A' ' 132' ' ' VAL . 6.8 mp -123.08 95.25 4.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.959 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.6 93.32 1.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.546 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 12.0 m -92.98 125.02 37.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 95.2 mt -126.02 142.33 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.736 HD21 HD11 ' A' ' 125' ' ' ILE . 52.5 mt -113.67 115.76 46.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.583 0.706 . . . . 0.0 110.93 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -168.61 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -102.84 26.47 8.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.584 ' HD2' HG11 ' A' ' 88' ' ' VAL . 7.5 mttm -125.34 -42.39 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.724 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.7 t80 -28.85 141.35 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.71 0.767 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.724 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.8 -8.03 10.35 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.325 -0.044 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.514 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -32.18 -76.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.584 HG11 ' HD2' ' A' ' 84' ' ' LYS . 2.5 m -99.88 126.61 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.576 HD13 ' HD2' ' A' ' 90' ' ' PRO . 0.4 OUTLIER -42.46 160.88 0.18 Allowed Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.653 0.74 . . . . 0.0 110.913 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.59 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.1 Cg_endo -69.76 169.22 19.42 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.654 2.236 . . . . 0.0 112.345 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -111.03 66.18 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.483 HG21 HD21 ' A' ' 111' ' ' LEU . 69.8 mt -79.22 126.18 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 46.1 m -122.12 105.75 10.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.516 ' HB ' HD22 ' A' ' 107' ' ' LEU . 20.9 t -77.97 139.12 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -139.65 149.44 43.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.432 ' HB3' HD12 ' A' ' 99' ' ' LEU . 11.0 t -171.74 142.73 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.0 p -66.84 -34.22 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.621 HD11 ' CB ' ' A' ' 73' ' ' ALA . 13.1 mt -61.36 -52.28 65.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.432 HD12 ' HB3' ' A' ' 96' ' ' SER . 7.3 mt -55.47 174.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.8 t -127.06 161.44 28.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -43.73 -41.0 4.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.855 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 m -76.05 -68.92 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 104' ' ' GLN . 80.7 mm-40 -41.35 -63.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 103' ' ' GLN . 20.9 tp60 -36.15 -64.45 0.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 88.4 m -41.52 -63.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -44.94 -42.79 8.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 139' ' ' TYR . 9.6 tt -63.56 -42.97 98.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -57.32 -51.67 68.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 47.8 m -55.45 -61.51 2.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 111' ' ' LEU . 2.1 m-20 -46.86 -59.08 3.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.483 HD21 HG21 ' A' ' 92' ' ' ILE . 12.1 tp -34.01 -59.12 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.453 HG22 ' CG ' ' A' ' 116' ' ' GLN . 60.2 m -55.5 -54.47 43.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -38.48 -53.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -41.04 -61.97 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 128' ' ' ALA . 14.9 mt -61.07 -54.64 42.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.453 ' CG ' HG22 ' A' ' 112' ' ' THR . 24.5 mm-40 -35.66 -39.71 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -94.46 -65.02 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -53.28 -59.75 4.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 48.3 m -104.86 96.27 6.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -129.55 135.12 48.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 80.85 -8.81 55.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.7 175.93 5.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.87 0.367 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.67 HG12 ' CD2' ' A' ' 85' ' ' TYR . 34.3 m -113.58 115.47 49.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 3.6 m -156.82 106.91 2.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.736 HD11 HD21 ' A' ' 81' ' ' LEU . 19.4 mm -90.47 -41.54 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 12.9 mt -47.96 -44.05 30.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -45.34 -38.19 5.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.571 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -67.09 -60.0 2.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.08 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 78.0 p -51.79 -27.09 11.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -81.12 -24.98 37.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.629 ' CZ2' ' ND1' ' A' ' 135' ' ' HIS . 9.0 t90 -91.37 -20.77 21.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.489 HG21 HD21 ' A' ' 77' ' ' LEU . 24.5 t -84.11 -57.32 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.153 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.531 ' HA ' HD13 ' A' ' 65' ' ' LEU . 20.0 ptt180 -35.29 -33.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 132' ' ' VAL . 7.6 tp10 -91.31 -67.96 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.629 ' ND1' ' CZ2' ' A' ' 131' ' ' TRP . 4.6 m-70 -42.91 -53.17 4.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 140' ' ' VAL . . . -34.73 -68.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 136' ' ' ALA . 1.3 t -34.4 -39.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -67.65 -56.65 10.69 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 107' ' ' LEU . 79.4 m-85 -52.42 -20.45 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 0.0 110.933 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 136' ' ' ALA . 1.8 t -98.73 163.41 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.104 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 18.3 m 63.27 47.16 4.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ARG . . . . . 0.717 ' O ' HG23 ' A' ' 144' ' ' THR . 40.3 ttp180 41.72 43.27 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 142' ' ' ARG . 4.7 t0 36.06 47.33 0.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.717 HG23 ' O ' ' A' ' 142' ' ' ARG . 31.8 p -140.46 127.77 21.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.128 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.8 t -96.16 138.69 33.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.0 t -65.09 133.16 51.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 88.7 p -101.75 169.94 8.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 103.44 -143.12 15.68 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.538 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 94.83 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.727 2.284 . . . . 0.0 112.328 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 7.6 t -82.31 -45.23 15.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.7 t -52.54 -52.75 53.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.464 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 t -84.47 117.78 23.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.897 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.6 t -59.34 107.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.38 -69.83 0.52 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.477 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.1 p -54.17 93.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.37 . . . . 0.0 110.898 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -70.68 -57.64 4.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.0 53.3 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 9' ' ' GLN . 12.8 pt-20 -64.4 -45.92 85.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.912 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.443 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 34.7 tt0 -39.74 -57.23 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.825 ' HB2' ' NH2' ' A' ' 53' ' ' ARG . . . -50.18 -51.94 39.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -59.93 -34.76 73.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.86 -50.81 70.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.408 ' NE2' ' HB3' ' A' ' 85' ' ' TYR . 60.5 mt-30 -71.61 -41.73 68.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 15' ' ' ALA . 30.4 tp -56.98 -64.88 0.73 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.99 -55.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.041 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -50.2 -44.95 53.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' LEU . 87.9 mt -58.5 -70.03 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -42.39 -42.78 3.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.678 HD23 ' HG2' ' A' ' 23' ' ' MET . 4.1 tt -59.02 -55.35 36.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.5 mt -50.38 -55.48 15.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.02 -45.75 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.8 m -77.37 -38.49 49.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.678 ' HG2' HD23 ' A' ' 19' ' ' LEU . 65.5 mmm -48.65 -38.79 22.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.449 ' HB3' ' CD ' ' A' ' 29' ' ' GLU . 94.8 m-85 -108.01 82.09 1.39 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.683 0.754 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -19.96 35.41 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.26 . . . . 0.0 112.35 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.57 151.93 35.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -81.79 145.18 30.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.927 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 52.75 52.98 12.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.449 ' CD ' ' HB3' ' A' ' 24' ' ' PHE . 2.2 pp20? -116.41 -39.14 3.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.773 HD12 HG12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -134.28 134.02 41.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.9 mp -130.61 129.15 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.5 p -104.87 99.52 8.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -52.65 -55.98 18.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -90.51 77.58 6.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -68.55 -41.57 79.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.8 tp -52.52 -43.7 65.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.31 -39.33 2.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.6 t -72.71 -57.23 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -45.77 -52.93 10.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.61 -40.39 94.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.9 tp -59.51 -51.76 68.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -49.24 -46.63 46.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 44' ' ' CYS . 8.8 t0 -55.85 -57.86 10.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 43' ' ' ASP . 76.0 m -35.69 -55.01 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 68.0 mt -46.18 -59.69 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -58.92 -44.77 91.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -66.17 -11.04 46.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.5 mttt 57.86 43.31 21.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.427 ' O ' HG23 ' A' ' 49' ' ' THR . 8.8 t -154.4 124.79 6.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.426 ' HG3' ' NH2' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -83.81 49.28 1.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.832 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -133.16 120.23 20.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 53' ' ' ARG . . . 142.49 -44.27 0.99 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.825 ' NH2' ' HB2' ' A' ' 10' ' ' ALA . 92.7 mtt180 -34.67 -66.88 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.341 . . . . 0.0 110.901 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 45.23 25.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.0 m -156.2 130.9 8.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -81.24 140.24 35.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 83.9 t -69.48 96.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.434 ' HE1' ' HB1' ' A' ' 78' ' ' ALA . 19.1 t80 -106.39 114.48 28.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 7.0 p90 -140.23 130.24 24.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 93.4 m -100.02 121.58 41.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.773 HG12 HD12 ' A' ' 30' ' ' LEU . 61.6 mt -98.69 125.92 51.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -98.73 121.82 41.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 36.6 mtp -127.68 109.77 12.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.2 p-10 -84.19 114.56 21.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.595 HD13 ' HA ' ' A' ' 133' ' ' ARG . 0.5 OUTLIER -140.54 162.55 35.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -78.66 151.86 32.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.499 HG12 HG21 ' A' ' 140' ' ' VAL . 20.5 m -123.64 -41.54 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.177 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 69' ' ' ASP . 1.6 t -175.41 179.58 1.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 68' ' ' SER . 15.9 m-20 33.8 54.2 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' ASP . 22.9 tt0 35.04 48.71 0.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.02 174.87 5.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.0 mtp -133.06 152.94 51.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.474 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -153.07 154.67 35.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 47.4 mtp -86.95 151.24 23.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.552 ' CZ ' ' HB1' ' A' ' 136' ' ' ALA . 25.9 m-85 -132.13 100.19 4.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.6 p -82.62 116.98 22.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.566 ' HG ' HG22 ' A' ' 94' ' ' VAL . 6.6 mp -108.65 94.83 5.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.434 ' HB1' ' HE1' ' A' ' 58' ' ' TYR . . . -71.92 98.75 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 2.7 m -100.0 130.73 46.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 89.9 mt -127.4 118.99 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.9 mt -95.71 107.51 34.2 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.608 0.718 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -176.77 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.256 . . . . 0.0 112.371 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -90.37 26.19 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.627 ' HB2' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -119.92 -49.75 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.718 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.7 t80 -28.36 142.07 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.667 0.746 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.718 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.7 Cg_endo -69.75 -2.44 7.13 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.321 -0.071 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.46 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -40.08 -73.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.627 HG22 ' HB2' ' A' ' 84' ' ' LYS . 2.8 m -104.11 127.23 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.428 HD11 ' HA ' ' A' ' 116' ' ' GLN . 53.4 mt -49.48 155.44 1.32 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.605 0.717 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.604 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.2 Cg_endo -69.77 168.98 20.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.71 2.273 . . . . 0.0 112.343 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -103.46 65.76 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.8 mt -70.81 110.3 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.144 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.436 ' CG2' ' HE ' ' A' ' 95' ' ' ARG . 89.3 m -111.45 102.96 11.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.566 HG22 ' HG ' ' A' ' 77' ' ' LEU . 61.7 t -73.23 135.67 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.436 ' HE ' ' CG2' ' A' ' 93' ' ' THR . 21.4 mmt180 -140.93 146.07 36.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 98' ' ' LEU . 4.6 t -174.1 131.17 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.472 HG13 HD23 ' A' ' 98' ' ' LEU . 7.4 p -37.5 -32.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.474 HD11 ' CB ' ' A' ' 73' ' ' ALA . 10.3 mt -66.66 -57.09 7.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.423 HD21 HG13 ' A' ' 140' ' ' VAL . 12.2 mt -74.84 126.02 30.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 66.9 m -110.7 -75.24 0.62 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.14 -75.02 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 70.3 m -52.54 -63.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.784 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.43 ' H ' ' CD ' ' A' ' 103' ' ' GLN . 12.4 mp0 -49.29 -56.13 10.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -55.4 -68.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 45.3 m -42.52 -48.41 5.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -57.58 -36.61 71.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.491 ' HA ' ' CZ ' ' A' ' 139' ' ' TYR . 9.7 tt -73.4 -55.28 6.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 24.9 m-20 -54.74 -46.98 74.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.2 m -47.16 -42.35 19.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 111' ' ' LEU . 1.9 m-20 -80.93 -53.83 6.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.45 ' CD2' HG23 ' A' ' 94' ' ' VAL . 12.0 tp -33.81 -51.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.713 HG22 ' OE1' ' A' ' 116' ' ' GLN . 24.7 m -67.01 -53.1 34.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -47.19 -50.14 21.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.055 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -42.03 -59.17 1.83 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.553 HD11 ' HB2' ' A' ' 128' ' ' ALA . 29.3 mt -63.69 -55.33 24.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.713 ' OE1' HG22 ' A' ' 112' ' ' THR . 39.5 mt-30 -34.44 -48.53 0.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -82.18 -64.37 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 18.4 m80 -43.93 -61.68 1.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.801 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.8 t -123.1 120.27 32.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -133.33 83.11 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 124.65 43.38 0.31 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -159.42 178.44 9.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.682 HG12 ' CE2' ' A' ' 85' ' ' TYR . 17.1 m -109.6 91.22 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 11.5 m -134.81 89.82 2.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 43.8 mm -82.69 -49.6 16.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.423 HD21 ' HE2' ' A' ' 23' ' ' MET . 3.1 mt -47.14 -47.27 23.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -40.63 -38.35 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.553 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -68.88 -54.4 15.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 73.3 p -53.35 -28.81 30.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -77.81 -20.46 53.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.722 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 27.9 t90 -92.1 -28.39 17.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 71.7 t -79.93 -50.51 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.595 ' HA ' HD13 ' A' ' 65' ' ' LEU . 5.5 ptm180 -44.64 -29.21 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -93.55 -67.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.722 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 8.7 m-70 -45.81 -48.61 15.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.618 ' O ' HG22 ' A' ' 140' ' ' VAL . . . -33.37 -71.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.547 ' HA ' HG23 ' A' ' 140' ' ' VAL . 11.7 m -36.87 -40.32 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -57.99 -59.48 10.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.491 ' CZ ' ' HA ' ' A' ' 107' ' ' LEU . 86.6 m-85 -58.2 -41.3 83.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.955 0.407 . . . . 0.0 110.94 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 136' ' ' ALA . 0.0 OUTLIER -83.65 34.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.088 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 15.3 t -80.07 115.7 19.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -164.89 152.28 11.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -101.48 42.97 1.09 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 66.5 p -60.81 150.34 33.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.7 p -158.76 160.0 35.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 78.5 p -131.13 136.2 48.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.826 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 20.4 t -172.17 139.31 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 138.96 -157.55 24.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 2.19 3.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 2.238 . . . . 0.0 112.372 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 30.6 m -46.59 172.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 10.8 t -74.62 171.97 12.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.44 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -50.15 -46.01 53.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 110.818 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 m -89.03 108.36 19.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.07 -121.41 4.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 m -125.04 111.05 14.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 0.0 110.859 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 m -108.79 -50.56 3.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.12 112.16 0.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -97.79 -31.51 12.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 110.895 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -52.57 -46.63 66.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.94 87.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' ALA . 42.7 mt-10 -64.89 -45.58 85.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . -35.97 -63.2 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -51.99 -54.26 31.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' ALA . 39.3 tp -49.55 -60.62 2.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.62 -57.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -51.84 -62.4 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt -45.52 -55.9 5.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 18' ' ' ASP . 30.3 t0 -51.33 -42.77 61.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.522 HD11 ' SD ' ' A' ' 23' ' ' MET . 8.5 tp -66.51 -59.22 3.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 19' ' ' LEU . 16.2 mt -36.33 -54.82 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.58 -48.3 28.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 p -69.91 -38.95 76.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.802 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.522 ' SD ' HD11 ' A' ' 19' ' ' LEU . 53.1 mmm -56.95 -41.92 79.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.497 ' CB ' ' OE1' ' A' ' 29' ' ' GLU . 92.3 m-85 -107.23 74.23 0.39 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 0.0 110.837 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 23' ' ' MET . 53.8 Cg_endo -69.76 -21.49 33.42 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.718 2.279 . . . . 0.0 112.354 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.25 165.03 3.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -90.26 142.43 27.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.86 0.362 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 m120 60.55 48.81 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.497 ' OE1' ' CB ' ' A' ' 24' ' ' PHE . 2.3 pp20? -117.32 -38.79 3.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.446 ' O ' HD23 ' A' ' 30' ' ' LEU . 1.1 tt -144.04 129.88 19.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.2 mp -131.08 117.36 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.608 HG22 ' HB3' ' A' ' 59' ' ' PHE . 51.2 t -94.4 94.49 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -64.98 -51.5 61.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -75.52 64.35 1.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -66.91 -27.39 67.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.8 tp -64.06 -36.41 83.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.69 -50.64 72.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.071 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.656 HG12 ' HD2' ' A' ' 42' ' ' LYS . 90.2 t -59.73 -39.12 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.162 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.91 -41.33 77.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -65.0 -44.38 89.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.2 tp -60.07 -58.62 7.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.656 ' HD2' HG12 ' A' ' 38' ' ' VAL . 43.8 mttt -48.91 -40.28 29.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.945 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 44' ' ' CYS . 15.4 t0 -69.39 -54.65 13.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 43' ' ' ASP . 22.3 m -37.54 -56.88 0.99 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.1 mt -51.41 -46.2 34.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -62.48 -48.85 77.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -65.05 -16.58 63.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.8 mttt 59.15 43.64 16.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 50' ' ' MET . 9.6 t -131.28 -38.01 1.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.46 ' C ' ' O ' ' A' ' 49' ' ' THR . 12.2 ptp 32.96 46.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.87 -17.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.63 130.01 3.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.524 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.446 ' HB2' ' NH1' ' A' ' 53' ' ' ARG . 9.1 mtm105 -88.12 143.28 27.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.32 . . . . 0.0 110.929 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.6 t -98.26 -41.35 7.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.7 m -84.03 122.1 28.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.4 ' HB3' HG23 ' A' ' 80' ' ' ILE . 14.0 mttm -72.6 153.68 41.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.3 t -83.38 97.46 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.076 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -96.5 126.08 41.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.608 ' HB3' HG22 ' A' ' 32' ' ' VAL . 13.9 p90 -153.54 131.53 11.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.1 m -98.86 150.0 22.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 53.0 mt -126.92 118.6 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -90.48 110.41 21.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 72.2 mtp -110.62 119.84 40.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.421 ' O ' HD23 ' A' ' 65' ' ' LEU . 4.4 m120 -88.54 121.49 30.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 64' ' ' ASN . 0.3 OUTLIER -148.49 148.41 30.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -73.78 147.0 43.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.675 ' HB ' HG11 ' A' ' 140' ' ' VAL . 21.2 m -122.79 -48.24 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.52 ' N ' HG23 ' A' ' 67' ' ' VAL . 5.3 t -175.22 170.54 3.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 71' ' ' LYS . 4.6 m-20 50.9 51.87 16.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 38.35 28.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 69' ' ' ASP . 24.8 mtpp -115.78 176.36 5.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.23 164.03 32.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.7 165.78 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 40.9 mtp -96.49 137.95 34.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -117.54 117.83 30.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.8 m -89.44 126.42 35.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.531 HD21 HG21 ' A' ' 132' ' ' VAL . 6.1 mp -117.89 93.95 4.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.967 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.74 94.26 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 52.5 m -95.57 115.54 27.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.4 HG23 ' HB3' ' A' ' 56' ' ' LYS . 78.2 mt -118.94 118.76 58.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.9 mt -91.88 118.89 68.49 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.629 0.728 . . . . 0.0 110.933 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -170.56 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.67 2.246 . . . . 0.0 112.366 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -89.11 -20.37 24.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.564 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 11.4 mttt -77.2 -45.81 25.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.752 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.5 t80 -26.38 141.46 0.05 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.633 0.73 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.752 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 54.0 Cg_endo -69.78 -10.47 11.54 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.334 -0.053 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.564 ' HB3' ' HB3' ' A' ' 84' ' ' LYS . . . -30.98 -76.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.548 HG22 ' HB2' ' A' ' 84' ' ' LYS . 2.1 m -98.43 125.14 51.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.499 ' CD2' ' HD2' ' A' ' 90' ' ' PRO . 13.5 mt -42.7 161.37 0.18 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.626 0.727 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.585 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.2 Cg_endo -69.79 -171.23 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.651 2.234 . . . . 0.0 112.33 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -126.35 59.39 1.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.1 mt -66.76 126.96 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.179 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.1 m -120.8 102.3 8.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.485 ' CG2' HD22 ' A' ' 111' ' ' LEU . 45.8 t -73.41 129.58 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -140.72 128.95 22.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.0 t -149.6 130.99 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 38.6 t -47.51 -36.89 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.56 HD22 HG11 ' A' ' 67' ' ' VAL . 6.7 mp -66.44 -54.71 21.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 97.9 mt -59.15 112.39 1.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.5 m -63.58 152.09 39.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -40.52 -47.21 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.6 p -68.62 -57.14 6.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -46.23 -62.14 1.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.624 HE22 HD22 ' A' ' 107' ' ' LEU . 17.3 tp60 -41.0 -55.77 2.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 88.9 m -41.37 -59.38 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.096 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -51.08 -45.92 61.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.624 HD22 HE22 ' A' ' 104' ' ' GLN . 9.1 tt -57.08 -58.54 7.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -45.78 -58.49 3.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.5 m -42.77 -39.82 2.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.54 -55.98 5.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.523 ' HA ' ' CZ3' ' A' ' 131' ' ' TRP . 21.6 tp -38.58 -53.75 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 86.8 m -60.98 -50.0 75.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -47.35 -52.38 16.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.405 ' CD1' ' CD1' ' A' ' 131' ' ' TRP . 8.9 t80 -39.9 -56.58 1.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.7 mt -60.43 -58.23 9.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -39.57 -35.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -78.27 -63.36 1.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -84.59 -66.66 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 77.9 m -79.4 93.91 5.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -135.33 121.02 19.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 73.52 39.44 49.98 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.24 156.79 31.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.681 ' O ' HG23 ' A' ' 123' ' ' VAL . 35.7 m -83.18 91.74 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 89.6 m -134.88 83.08 2.0 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 41.4 mm -83.86 -39.28 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.55 -47.48 86.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -42.44 -38.86 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.468 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -67.87 -51.81 43.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.071 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 60.4 p -54.63 -32.26 58.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -75.42 -32.14 60.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.592 ' CZ2' ' CD2' ' A' ' 135' ' ' HIS . 36.1 t90 -80.74 -15.78 55.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.531 HG21 HD21 ' A' ' 77' ' ' LEU . 54.1 t -81.31 -64.65 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -41.88 -23.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 132' ' ' VAL . 5.7 mm-40 -82.83 -66.51 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.592 ' CD2' ' CZ2' ' A' ' 131' ' ' TRP . 5.4 m-70 -59.51 -50.03 75.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.35 -70.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 59.1 p -41.78 -37.1 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -61.75 -50.54 65.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.484 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -62.94 -44.77 95.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.899 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.675 HG11 ' HB ' ' A' ' 67' ' ' VAL . 96.2 t -43.43 115.32 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.3 m -142.29 145.79 34.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -97.79 145.01 26.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -130.07 124.94 34.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 29.0 p -88.25 157.27 18.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.6 t -90.58 91.18 8.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 65.5 m -57.61 112.01 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.5 t -86.42 124.79 33.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 126.29 127.7 3.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -174.16 0.86 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 78.8 p -165.97 168.9 15.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 6.3 t -105.72 172.33 6.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -46.46 110.07 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 m -85.98 160.66 19.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.1 -55.1 0.54 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.7 m -107.15 142.52 36.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.831 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 t -147.02 170.33 17.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.1 67.07 2.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 9' ' ' GLN . 12.0 pt-20 -70.35 -46.91 63.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 110.891 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.456 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 27.7 tt0 -43.45 -63.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.535 ' HB2' ' SD ' ' A' ' 50' ' ' MET . . . -40.84 -44.02 2.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -66.08 -45.62 80.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.34 -49.93 2.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.416 ' NE2' ' HB3' ' A' ' 85' ' ' TYR . 37.0 mt-30 -70.71 -61.12 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 15' ' ' ALA . 56.7 tp -45.95 -64.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.96 -59.6 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.089 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -49.43 -53.88 20.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.798 HD21 ' CD1' ' A' ' 81' ' ' LEU . 58.2 mt -49.79 -65.32 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -40.47 -40.74 1.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 tp -68.85 -60.33 2.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.8 mt -38.68 -49.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.55 -47.64 14.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 m -76.24 -40.83 50.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 76.6 mmm -48.1 -36.36 13.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -108.12 76.94 0.64 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.671 0.748 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 26' ' ' GLY . 53.6 Cg_endo -69.8 -40.26 5.47 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 25' ' ' PRO . . . -34.75 151.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -72.78 127.74 33.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.836 0.35 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 m120 62.19 42.96 9.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -95.68 -32.23 12.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.582 HD21 HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -142.58 137.45 30.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.4 mp -129.57 121.34 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.582 HG23 HD21 ' A' ' 30' ' ' LEU . 83.6 t -101.73 94.22 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.444 ' HB2' ' CD2' ' A' ' 58' ' ' TYR . 33.2 m-80 -62.42 -56.72 15.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.457 ' OD1' ' HB2' ' A' ' 37' ' ' ALA . 3.4 t0 -74.43 86.67 2.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -76.32 -47.42 23.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.1 tp -50.02 -45.26 51.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.457 ' HB2' ' OD1' ' A' ' 34' ' ' ASP . . . -41.7 -40.61 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 41' ' ' LEU . 93.0 t -78.1 -62.22 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -39.96 -42.28 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -76.1 -37.14 58.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' VAL . 53.9 tp -58.22 -39.59 79.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -60.63 -52.62 64.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -49.43 -49.94 42.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.499 ' SG ' ' CE ' ' A' ' 50' ' ' MET . 1.7 t -42.61 -62.17 1.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.6 mt -54.39 -43.6 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.92 -35.05 75.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.403 ' CB ' HG22 ' A' ' 49' ' ' THR . 35.4 mttp -92.54 10.83 28.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? 42.06 33.92 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.545 ' O ' HG23 ' A' ' 49' ' ' THR . 10.9 t -132.32 116.23 16.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.535 ' SD ' ' HB2' ' A' ' 10' ' ' ALA . 37.8 mmt -76.25 48.69 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -133.37 120.69 21.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 53' ' ' ARG . . . 154.67 -49.76 0.49 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.534 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -34.36 127.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 0.0 110.883 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.8 m -132.04 -40.25 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 m -110.25 148.87 31.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -79.7 152.88 29.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.7 t -75.98 98.06 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.444 ' CD2' ' HB2' ' A' ' 33' ' ' ASN . 13.5 t80 -97.95 120.99 39.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -154.03 119.95 5.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.5 m -99.17 131.47 45.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.0 mt -103.44 129.38 55.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -102.05 116.48 32.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.446 ' C ' ' SD ' ' A' ' 74' ' ' MET . 56.5 mtp -118.94 120.56 37.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.453 ' N ' ' SD ' ' A' ' 74' ' ' MET . 1.7 p-10 -91.2 122.34 33.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.58 162.23 38.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -88.48 140.83 29.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.736 ' HB ' HG11 ' A' ' 140' ' ' VAL . 4.3 m -113.75 -46.34 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 t -171.96 -179.93 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 71' ' ' LYS . 75.9 m-20 43.65 50.57 6.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.827 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' ASP . 12.4 pt-20 34.39 33.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 69' ' ' ASP . 25.0 mtmt -109.34 165.7 11.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 29.5 mtp -127.89 154.83 45.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.785 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -148.45 169.81 19.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.453 ' SD ' ' N ' ' A' ' 64' ' ' ASN . 1.4 tpt -110.48 142.5 42.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -114.9 131.46 56.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.3 m -100.22 116.63 32.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.459 ' HG ' HG22 ' A' ' 94' ' ' VAL . 6.7 mp -108.81 92.81 4.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.85 93.78 2.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 50.9 t -99.27 136.06 39.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 91.2 mt -132.47 117.24 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.798 ' CD1' HD21 ' A' ' 17' ' ' LEU . 11.9 mt -92.87 117.86 67.7 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -173.53 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -92.8 -4.74 52.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.759 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 19.7 mtmm -91.14 -45.56 8.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.74 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.5 t80 -25.03 142.5 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.689 0.757 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.74 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.76 -10.92 11.73 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.344 -0.06 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.759 ' HB3' ' HB3' ' A' ' 84' ' ' LYS . . . -28.98 -76.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.059 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.754 HG11 ' CE ' ' A' ' 84' ' ' LYS . 2.9 m -101.31 127.29 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.0 mt -46.13 158.47 0.37 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.638 0.733 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.632 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.74 -169.18 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.646 2.231 . . . . 0.0 112.358 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -132.42 80.04 1.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.4 mt -90.12 140.61 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.9 m -134.63 100.99 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.459 HG22 ' HG ' ' A' ' 77' ' ' LEU . 49.6 t -73.13 124.89 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.152 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -136.06 130.28 33.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.8 t -148.84 119.9 7.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.7 m -42.22 -29.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.145 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.785 HD11 ' CB ' ' A' ' 73' ' ' ALA . 19.5 mt -61.02 -56.8 16.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 8.1 mt -68.91 158.06 35.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.473 ' H ' ' CG ' ' A' ' 103' ' ' GLN . 28.5 p -101.37 150.68 22.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.31 -20.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.6 m -80.2 -68.33 0.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.473 ' CG ' ' H ' ' A' ' 100' ' ' SER . 1.7 pt20 -58.56 -45.29 89.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -50.19 -37.07 33.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 79.1 m -54.76 -60.71 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -54.28 -44.42 71.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.592 HD12 ' CD2' ' A' ' 139' ' ' TYR . 9.8 tt -50.77 -50.73 55.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -51.08 -57.38 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 57.9 m -48.02 -55.23 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.172 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.74 -60.39 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.495 HD13 HG23 ' A' ' 132' ' ' VAL . 18.1 tp -39.01 -44.09 1.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 21.2 m -66.34 -53.28 38.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -41.02 -58.38 1.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.081 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.635 ' CG ' ' CD1' ' A' ' 131' ' ' TRP . 21.4 t80 -35.23 -62.95 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 116' ' ' GLN . 7.1 mt -57.93 -57.04 14.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 115' ' ' LEU . 28.0 mt-30 -35.19 -35.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 115' ' ' LEU . 28.3 tttt -96.59 -65.31 0.98 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -51.98 -62.59 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 8.8 m -107.84 103.22 12.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -126.6 87.41 2.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 109.66 39.32 1.62 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -153.02 169.56 22.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.892 0.377 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.645 ' O ' HG23 ' A' ' 123' ' ' VAL . 31.5 m -101.93 90.87 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 5.2 m -135.04 103.61 5.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.738 HD11 HD21 ' A' ' 81' ' ' LEU . 33.8 mm -95.96 -38.83 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 17.3 mt -57.52 -37.72 73.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -51.73 -39.76 58.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.37 -60.84 2.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.072 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 68.0 p -47.09 -46.16 22.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -60.77 -29.32 69.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.694 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 18.4 t90 -85.35 -19.44 31.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.495 HG23 HD13 ' A' ' 111' ' ' LEU . 50.8 t -87.28 -57.3 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 134' ' ' GLU . 8.5 ptt-85 -42.37 -29.91 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.443 ' N ' ' HG3' ' A' ' 133' ' ' ARG . 4.5 tm-20 -88.57 -67.65 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.694 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 13.5 m-70 -47.27 -52.76 15.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.76 -69.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.094 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 51.6 p -39.34 -37.63 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -61.63 -59.12 10.31 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.592 ' CD2' HD12 ' A' ' 107' ' ' LEU . 89.5 m-85 -53.23 -44.07 67.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.377 . . . . 0.0 110.934 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.736 HG11 ' HB ' ' A' ' 67' ' ' VAL . 67.9 t -53.88 118.72 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.139 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 5.2 m -151.38 179.68 8.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 56.5 ttt-85 43.83 44.82 5.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -97.46 91.61 5.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 44.5 p -107.15 96.71 6.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 52.9 p -57.9 -52.39 65.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 148' ' ' GLY . 67.5 p -167.3 174.95 7.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.0 t -50.09 90.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 146' ' ' SER . . . -90.82 -86.99 1.39 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 121.11 7.81 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.68 2.254 . . . . 0.0 112.377 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 97.6 p -171.22 162.24 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 78.4 p -103.87 162.39 13.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -116.54 121.02 40.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.864 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.3 m -142.79 156.81 45.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.5 -50.93 0.78 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 t -90.48 -61.35 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.901 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -66.1 150.06 49.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.9 85.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.409 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 1.8 pm0 -61.63 -20.46 63.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 0.0 110.911 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -71.66 -51.58 22.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.942 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.86 -29.11 69.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -78.76 -40.7 32.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -46.3 -46.33 17.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -67.38 -69.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.506 HD13 ' HG3' ' A' ' 42' ' ' LYS . 15.1 tp -40.23 -53.84 2.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -38.74 -54.53 1.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.7 -61.33 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.516 ' HA ' HD12 ' A' ' 20' ' ' LEU . 26.6 mt -41.66 -58.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -46.83 -42.2 16.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.1 tp -70.4 -42.61 71.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 17' ' ' LEU . 33.0 mt -54.0 -55.98 22.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.12 -43.98 3.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.4 m -78.23 -36.51 46.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 74.4 mmm -55.64 -33.27 63.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -112.21 77.14 2.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.681 0.753 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -40.61 5.14 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.669 2.246 . . . . 0.0 112.329 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -42.15 164.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -83.03 156.69 23.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 41.25 36.89 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -92.99 -37.62 12.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.441 HD23 ' C ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -143.98 142.5 30.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mp -139.24 123.1 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.457 HG22 ' CB ' ' A' ' 59' ' ' PHE . 49.5 t -102.24 98.87 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -69.63 -48.52 59.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -84.6 98.67 10.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -88.75 -46.55 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' ' 36' ' ' LEU . 2.2 mm? -40.29 -59.46 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LEU . . . -36.9 -45.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.059 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' ALA . 90.5 t -70.43 -66.98 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.15 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' VAL . . . -36.6 -46.96 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.46 -51.01 67.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.482 HD13 ' CZ ' ' A' ' 53' ' ' ARG . 27.1 tp -54.33 -50.93 66.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.506 ' HG3' HD13 ' A' ' 14' ' ' LEU . 8.7 mtpp -56.85 -52.77 63.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -55.7 -43.31 76.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 47' ' ' LYS . 38.4 t -48.7 -64.2 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.4 mt -40.62 -45.16 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -64.55 -38.25 90.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 44' ' ' CYS . 6.2 mtpm? -80.05 -11.01 59.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp 54.39 44.27 29.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.479 ' O ' HG23 ' A' ' 49' ' ' THR . 5.0 t -152.94 112.69 3.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 23.8 mmt -75.93 76.55 2.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -127.17 123.51 36.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.469 ' O ' ' C ' ' A' ' 53' ' ' ARG . . . 118.67 -92.1 0.53 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.507 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.482 ' CZ ' HD13 ' A' ' 41' ' ' LEU . 0.4 OUTLIER 31.06 46.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 110.911 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.3 m -96.01 38.78 1.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -173.14 124.54 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -78.7 152.46 31.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 42.7 t -78.37 97.25 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -96.99 128.02 43.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.971 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.496 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 3.8 p90 -158.34 127.46 5.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.0 m -93.99 141.29 28.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.1 mt -117.57 124.81 73.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.48 ' HB3' ' CE ' ' A' ' 74' ' ' MET . 31.1 m120 -102.39 121.18 41.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.598 ' HE3' ' HB3' ' A' ' 133' ' ' ARG . 15.9 mtm -121.83 118.18 28.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.447 ' C ' ' HG ' ' A' ' 65' ' ' LEU . 6.8 m-20 -81.68 115.87 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.549 HD13 ' HA ' ' A' ' 133' ' ' ARG . 1.0 OUTLIER -146.69 154.05 40.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -69.02 144.98 53.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.615 HG23 ' N ' ' A' ' 68' ' ' SER . 27.5 m -118.2 -52.72 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.615 ' N ' HG23 ' A' ' 67' ' ' VAL . 5.9 t -174.89 -174.99 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 68' ' ' SER . 1.4 m-20 34.98 51.23 0.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.438 ' HG2' ' C ' ' A' ' 69' ' ' ASP . 10.9 pt-20 41.51 46.17 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 68' ' ' SER . 1.3 ptmt -144.34 162.81 35.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.2 ptm -124.19 176.22 6.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.533 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -146.91 172.04 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.081 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.48 ' CE ' ' HB3' ' A' ' 62' ' ' ASN . 1.5 tpt -99.38 104.71 16.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.498 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 45.0 m-85 -89.83 111.31 22.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 55.3 m -93.77 118.47 31.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.7 mp -107.52 100.85 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.09 93.23 3.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 16.7 m -95.0 137.32 34.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 90.3 mt -140.08 124.9 19.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.183 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.518 HD23 ' HB3' ' A' ' 90' ' ' PRO . 18.4 mt -95.67 122.82 57.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.505 ' HG3' HG23 ' A' ' 88' ' ' VAL . 54.0 Cg_endo -69.8 -168.39 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.664 2.243 . . . . 0.0 112.35 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -93.98 -24.32 17.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.538 ' CB ' ' HB3' ' A' ' 87' ' ' ALA . 8.9 mttt -76.66 -37.74 55.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.775 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.6 t80 -28.68 142.14 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.677 0.751 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.775 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 54.1 Cg_endo -69.75 -7.31 9.88 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.377 -0.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.538 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -32.13 -77.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.505 HG23 ' HG3' ' A' ' 82' ' ' PRO . 1.9 m -97.2 125.05 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.448 ' CD2' ' HD2' ' A' ' 90' ' ' PRO . 15.2 mt -43.84 160.8 0.22 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.632 0.729 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.573 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.2 Cg_endo -69.76 177.03 5.99 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -117.43 78.62 1.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.418 ' CG2' HD21 ' A' ' 111' ' ' LEU . 59.0 mt -87.98 135.93 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 89.3 m -133.42 103.1 5.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.182 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.477 ' O ' ' NE2' ' A' ' 104' ' ' GLN . 13.9 t -74.85 127.58 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.408 ' HA ' ' NE2' ' A' ' 104' ' ' GLN . 9.7 mmt85 -131.22 144.07 51.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.7 t -167.95 140.14 3.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.442 HG13 HD23 ' A' ' 98' ' ' LEU . 2.8 p -60.02 -37.7 73.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.533 HD11 ' CB ' ' A' ' 73' ' ' ALA . 11.3 mt -58.38 -57.12 14.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.54 131.05 49.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.0 p -82.64 160.41 22.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -44.88 -47.12 11.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.4 m -67.39 -63.81 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -43.05 -56.92 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 94' ' ' VAL . 5.1 tp-100 -46.05 -47.98 16.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 62.5 m -43.08 -43.39 4.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.131 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.41 ' NE2' ' OD2' ' A' ' 110' ' ' ASP . 25.3 tp60 -68.15 -74.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.636 ' C ' HD23 ' A' ' 107' ' ' LEU . 5.0 tt -39.95 -51.11 2.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.463 ' N ' HD23 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -49.13 -50.76 35.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 86.1 m -66.54 -49.54 66.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.41 ' OD2' ' NE2' ' A' ' 106' ' ' GLN . 8.6 m-20 -50.01 -52.03 37.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.61 HD11 ' HB1' ' A' ' 128' ' ' ALA . 10.5 tp -41.14 -54.79 2.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 97.8 m -57.36 -55.5 33.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -42.86 -55.92 3.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 113' ' ' ALA . 16.6 t80 -37.02 -54.97 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 117' ' ' LYS . 69.6 mt -60.38 -58.99 6.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.427 ' HG2' ' CD1' ' A' ' 89' ' ' LEU . 11.4 mt-30 -39.39 -27.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 115' ' ' LEU . 0.1 OUTLIER -97.1 -66.67 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -60.69 -66.46 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 2.2 m -114.46 113.18 24.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -146.79 109.79 4.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 113.66 -14.15 22.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.46 166.85 11.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.796 0.331 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 123' ' ' VAL . 30.5 m -86.5 109.63 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.13 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 3.3 m -158.48 106.24 1.91 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 16.5 mm -94.79 -43.09 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 127' ' ' ASN . 12.0 mt -49.38 -57.03 7.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 126' ' ' LEU . 11.9 m120 -34.39 -37.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.61 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -71.61 -53.44 13.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.102 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 69.3 p -60.08 -16.91 35.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -84.32 -20.0 32.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.537 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 13.8 t90 -94.8 -25.89 16.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.58 HG23 HD13 ' A' ' 111' ' ' LEU . 42.2 t -81.01 -53.2 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.146 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.598 ' HB3' ' HE3' ' A' ' 63' ' ' MET . 5.4 ppt_? -39.72 -30.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -94.62 -65.44 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.537 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 5.0 m-70 -45.25 -50.76 11.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.498 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -33.67 -70.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 16.3 t -50.46 -37.37 38.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -51.41 -41.73 48.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.429 ' CD2' HD12 ' A' ' 107' ' ' LEU . 97.0 m-85 -74.68 -51.24 14.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.912 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.543 HG11 ' HB ' ' A' ' 67' ' ' VAL . 61.0 t -49.83 117.73 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.2 m -158.65 156.06 29.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -85.45 113.37 21.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -135.44 145.52 47.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 43.6 p -133.58 -58.26 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.2 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 87.7 p -78.36 167.1 21.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.1 t -79.7 111.22 15.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.789 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.6 t -65.35 -59.05 4.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 151.13 -155.88 26.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.54 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 150' ' ' SER . 53.5 Cg_endo -69.72 102.11 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.707 2.271 . . . . 0.0 112.362 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 149' ' ' PRO . 19.7 m -34.53 107.38 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 29.3 t -129.03 134.09 47.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.452 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 p -149.31 174.81 12.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.836 0.351 . . . . 0.0 110.919 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.9 t -77.37 118.47 19.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.1 133.79 11.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.9 m -101.22 43.3 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.361 . . . . 0.0 110.831 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.3 m -93.4 101.21 13.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.816 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.22 72.54 0.45 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.52 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -70.57 -26.76 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.342 . . . . 0.0 110.926 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -63.55 -52.18 62.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.68 -37.32 63.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -73.9 -41.84 61.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -38.92 -52.42 1.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -68.9 -47.69 65.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.744 HD11 ' NZ ' ' A' ' 42' ' ' LYS . 37.3 tp -52.36 -63.51 1.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.09 -56.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -52.34 -43.03 64.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' LEU . 60.9 mt -65.83 -66.59 0.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -44.63 -48.71 10.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.557 HD23 ' HG2' ' A' ' 23' ' ' MET . 4.5 tt -55.54 -58.89 5.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 21' ' ' ALA . 29.2 mt -40.67 -55.22 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -37.29 -44.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.083 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t -75.79 -40.71 54.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.557 ' HG2' HD23 ' A' ' 19' ' ' LEU . 77.4 mmm -55.32 -30.29 59.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -108.01 75.41 0.53 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.7 0.762 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 26' ' ' GLY . 54.0 Cg_endo -69.76 -38.85 7.23 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 25' ' ' PRO . . . -36.86 146.93 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -74.96 124.67 27.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.907 0.384 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 m120 66.72 44.35 2.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -95.35 -58.53 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.527 HD21 HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -113.43 141.1 47.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.1 mp -133.25 124.15 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.563 HG22 ' CB ' ' A' ' 59' ' ' PHE . 67.7 t -105.88 94.12 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -61.31 -58.21 9.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.68 87.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -79.59 -51.26 9.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.4 tp -49.45 -47.42 48.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.0 -44.63 51.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.517 HG12 ' HE2' ' A' ' 42' ' ' LYS . 80.7 t -69.79 -47.5 69.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.91 -56.11 9.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.091 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -51.76 -47.21 64.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 41' ' ' LEU . 11.8 tp -48.75 -34.51 12.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.744 ' NZ ' HD11 ' A' ' 14' ' ' LEU . 1.7 mptp? -75.73 -66.06 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -42.64 -36.03 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 78.0 m -64.37 -51.02 65.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.4 mt -66.77 -44.41 89.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -60.12 -50.51 73.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -79.64 7.25 8.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? 46.61 38.16 5.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.507 ' O ' HG23 ' A' ' 49' ' ' THR . 11.6 t -130.3 121.05 25.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.22 86.09 2.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.55 -43.13 66.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 127.67 102.14 1.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.529 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.63 ' H ' ' NE ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -44.35 151.03 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.341 . . . . 0.0 110.887 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.5 t -114.42 -41.25 3.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.4 m -106.37 144.84 32.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.624 ' HB3' HG23 ' A' ' 80' ' ' ILE . 17.8 mttp -80.87 135.2 35.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.8 t -59.35 95.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -101.73 124.01 46.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 10.9 p90 -155.57 121.59 5.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.5 m -91.23 143.25 26.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.8 mt -116.71 123.15 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.417 ' HB3' ' CE ' ' A' ' 74' ' ' MET . 31.0 m120 -97.42 107.51 20.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.48 ' HE3' HD11 ' A' ' 65' ' ' LEU . 19.3 mtm -110.31 122.03 46.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.431 ' HB2' ' CE ' ' A' ' 72' ' ' MET . 17.9 p30 -92.08 109.09 20.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.547 HD13 ' HA ' ' A' ' 133' ' ' ARG . 3.2 mt -129.52 147.52 51.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -76.78 128.72 35.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.599 HG23 ' N ' ' A' ' 68' ' ' SER . 22.6 m -106.34 -48.95 8.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.599 ' N ' HG23 ' A' ' 67' ' ' VAL . 15.1 p -169.56 172.41 7.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 71' ' ' LYS . 10.4 m-20 46.52 52.68 10.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 38.01 29.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -117.72 174.57 6.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.431 ' CE ' ' HB2' ' A' ' 64' ' ' ASN . 6.6 ptm -147.07 158.47 43.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.774 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -128.1 162.13 27.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.417 ' CE ' ' HB3' ' A' ' 62' ' ' ASN . 4.1 tpt -92.71 119.14 31.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.407 ' HZ ' HG21 ' A' ' 140' ' ' VAL . 14.8 m-85 -97.4 123.66 41.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.6 m -97.52 113.94 25.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.3 mp -108.92 93.88 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.959 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.98 94.98 1.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 12.3 m -93.02 122.79 35.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.624 HG23 ' HB3' ' A' ' 56' ' ' LYS . 96.0 mt -126.25 116.08 44.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.061 HD21 HD11 ' A' ' 125' ' ' ILE . 22.1 mt -99.04 117.21 64.6 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.58 0.705 . . . . 0.0 110.935 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -172.26 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.667 2.245 . . . . 0.0 112.371 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -86.48 -28.41 23.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.83 ' HE3' HG11 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -67.59 -45.87 74.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.809 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.1 t80 -27.89 142.48 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.699 0.761 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.809 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.75 -9.36 10.95 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.748 -1.772 . . . . 0.0 112.336 -0.056 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.554 ' HB3' ' HB3' ' A' ' 84' ' ' LYS . . . -31.63 -77.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.83 HG11 ' HE3' ' A' ' 84' ' ' LYS . 2.3 m -95.72 124.68 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 88' ' ' VAL . 0.7 OUTLIER -39.7 161.29 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.611 0.719 . . . . 0.0 110.885 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.584 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.4 Cg_endo -69.72 -169.64 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -133.26 64.13 1.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 78.3 mt -75.69 138.33 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 99.1 m -134.07 99.77 4.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.4 t -73.43 137.84 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 34.2 mmt-85 -147.45 137.65 23.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.55 ' HB3' HD12 ' A' ' 99' ' ' LEU . 7.8 t -151.5 137.24 17.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.1 m -59.04 -33.72 51.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.09 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.774 HD11 ' CB ' ' A' ' 73' ' ' ALA . 18.4 mt -64.81 -51.15 63.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.55 HD12 ' HB3' ' A' ' 96' ' ' SER . 9.8 mt -63.97 173.08 1.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 84.1 p -113.4 174.19 6.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -38.96 91.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.8 m -77.3 -59.43 2.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -48.81 -62.42 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.419 HE22 HD22 ' A' ' 107' ' ' LEU . 13.9 tp60 -38.54 -51.26 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 92.1 m -45.79 -64.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.158 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -39.88 -58.41 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.448 ' C ' HD23 ' A' ' 107' ' ' LEU . 8.8 tt -41.64 -53.6 3.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -53.32 -54.85 30.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 43.1 m -42.46 -37.81 1.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.545 ' HB3' ' CZ2' ' A' ' 131' ' ' TRP . 0.7 OUTLIER -80.43 -57.25 3.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.624 HD11 ' HB1' ' A' ' 128' ' ' ALA . 8.4 tp -36.69 -59.46 0.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 113' ' ' ALA . 27.6 m -57.05 -61.17 2.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 112' ' ' THR . . . -37.84 -51.07 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.458 ' CG ' ' CD1' ' A' ' 131' ' ' TRP . 27.4 t80 -39.6 -62.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 119' ' ' CYS . 10.3 mt -57.18 -61.91 2.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 115' ' ' LEU . 4.8 mt-30 -36.48 -34.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 115' ' ' LEU . 10.5 tptm -84.33 -64.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -68.73 -58.32 4.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 115' ' ' LEU . 60.7 m -97.38 100.59 12.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -123.9 126.67 46.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 71.21 40.37 61.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -151.37 -177.8 6.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 123' ' ' VAL . 32.1 m -118.44 91.96 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 2.6 t -129.04 99.82 5.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 1.061 HD11 HD21 ' A' ' 81' ' ' LEU . 25.0 mm -91.36 -32.9 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 127' ' ' ASN . 12.9 mt -60.89 -60.64 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 126' ' ' LEU . 20.2 t-20 -34.47 -35.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.624 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -66.73 -51.37 56.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.09 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 126' ' ' LEU . 43.6 p -61.92 -32.26 72.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.166 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -75.55 -22.44 57.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.639 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 40.0 t90 -89.38 -17.6 28.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 134' ' ' GLU . 17.8 t -88.21 -63.52 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.547 ' HA ' HD13 ' A' ' 65' ' ' LEU . 6.9 ptm180 -37.08 -29.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 132' ' ' VAL . 23.7 tt0 -88.86 -61.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.639 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 16.3 m-70 -54.23 -53.62 51.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.97 -66.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 136' ' ' ALA . 94.3 p -35.0 -43.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -57.21 -58.51 14.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.449 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -61.93 -52.51 63.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.943 0.401 . . . . 0.0 110.976 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.407 HG21 ' HZ ' ' A' ' 75' ' ' PHE . 97.1 t -43.05 113.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.16 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 14.7 m -150.6 111.28 4.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.77 132.22 14.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -133.58 -58.43 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.7 t -46.76 163.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 86.4 p -129.56 114.61 16.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.821 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 19.6 m -122.21 -57.96 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 50.4 m -51.5 113.34 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.795 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 159.68 -96.8 0.15 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 119.37 6.32 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.723 2.282 . . . . 0.0 112.342 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 80.0 p -107.26 134.52 50.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 97.2 p -104.26 106.53 17.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -107.11 106.19 16.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -91.26 162.64 14.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.23 -89.23 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 m -79.78 113.91 18.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.37 . . . . 0.0 110.84 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 m -114.83 44.08 1.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.11 44.86 0.9 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -71.43 -49.16 44.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.736 0.303 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -43.45 -54.27 4.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.07 -44.81 64.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -65.4 -38.1 88.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -49.92 -51.09 43.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -70.73 -39.9 73.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 15' ' ' ALA . 33.9 tp -57.22 -65.21 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.75 -59.9 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.5 ' OE2' ' N ' ' A' ' 124' ' ' CYS . 25.2 tt0 -45.94 -50.51 14.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.644 HD21 HG11 ' A' ' 57' ' ' VAL . 54.5 mt -55.89 -69.59 0.14 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -43.28 -42.06 4.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 20' ' ' LEU . 4.8 tt -57.4 -65.62 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 23' ' ' MET . 10.8 mt -36.17 -58.63 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.13 -46.84 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.4 m -68.62 -42.74 77.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 20' ' ' LEU . 93.8 mmm -55.21 -35.52 64.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -109.68 82.6 2.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.655 0.741 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -25.87 27.82 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.69 2.26 . . . . 0.0 112.31 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.28 162.91 0.59 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -86.96 -37.68 17.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.858 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -111.69 33.62 4.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -93.2 -40.91 10.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.458 HD21 HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -141.86 140.87 33.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.97 117.03 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.458 HG23 HD21 ' A' ' 30' ' ' LEU . 53.1 t -92.23 94.87 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -58.11 -56.1 26.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.18 105.23 9.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 32' ' ' VAL . 9.0 mp0 -94.35 -36.42 11.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.408 ' C ' HD23 ' A' ' 36' ' ' LEU . 8.6 tt -61.45 -45.1 95.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.37 -40.73 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.9 t -72.84 -48.36 45.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.29 -48.6 24.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.1 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -60.4 -47.41 86.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.8 tp -52.34 -44.68 65.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -71.45 -63.3 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -41.46 -32.5 0.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.9 m -69.83 -64.45 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.7 mt -51.08 -46.54 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -59.61 -39.8 85.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -85.03 1.32 48.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm 56.98 41.14 28.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.493 ' O ' ' CE ' ' A' ' 50' ' ' MET . 2.4 t -136.99 168.46 19.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.493 ' CE ' ' O ' ' A' ' 49' ' ' THR . 24.8 mmt -133.74 67.53 1.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -45.85 -48.0 15.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 128.71 100.83 1.0 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.9 mtp-105 -61.21 112.12 2.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.799 0.333 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.0 t -98.69 -37.21 9.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.4 m -94.46 118.18 31.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -67.21 147.3 53.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.644 HG11 HD21 ' A' ' 17' ' ' LEU . 96.0 t -72.55 98.42 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -98.77 124.23 43.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -155.84 133.81 11.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 41.9 m -103.21 150.63 23.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.9 mt -123.6 122.38 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -94.43 109.71 21.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 54.4 mtp -111.02 112.84 24.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -88.05 111.88 22.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 133' ' ' ARG . 1.1 mt -131.88 155.77 47.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -82.17 118.67 23.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.958 ' HB ' HG11 ' A' ' 140' ' ' VAL . 26.7 m -91.78 -51.18 11.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.618 ' N ' HG23 ' A' ' 67' ' ' VAL . 40.3 p -174.57 178.64 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 47.81 47.85 17.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 42.88 27.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -119.51 179.18 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.8 ptm -147.25 164.56 32.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.631 ' HB2' HD11 ' A' ' 98' ' ' LEU . . . -132.63 175.14 9.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.9 ttm -106.59 115.89 30.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.645 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 11.6 m-85 -96.52 114.14 25.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 m -93.45 114.32 26.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.806 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.44 HD22 HG22 ' A' ' 129' ' ' THR . 6.7 mp -104.71 96.21 6.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.951 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.439 ' HB3' ' HB ' ' A' ' 93' ' ' THR . . . -74.98 100.01 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 60.7 m -98.88 137.39 37.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 68.2 mt -138.99 113.71 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.157 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.769 HD21 HD11 ' A' ' 125' ' ' ILE . 36.7 mt -92.18 114.66 62.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.619 0.723 . . . . 0.0 110.956 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -172.75 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -88.04 -12.79 43.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.781 ' HB2' HG22 ' A' ' 88' ' ' VAL . 20.5 mmtt -80.01 -51.4 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.703 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.9 t80 -26.3 141.07 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.731 0.777 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.703 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.73 -12.4 12.12 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.384 -0.12 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.592 ' HB3' ' HB3' ' A' ' 84' ' ' LYS . . . -33.09 -73.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.781 HG22 ' HB2' ' A' ' 84' ' ' LYS . 3.2 m -99.48 122.13 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.666 HD11 ' HA ' ' A' ' 116' ' ' GLN . 8.3 mt -42.9 161.78 0.18 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.626 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.74 -175.22 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.376 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -128.24 59.92 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.1 mt -66.46 133.91 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.439 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 53.5 m -127.02 101.9 6.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.718 ' CG2' HD22 ' A' ' 111' ' ' LEU . 13.4 t -78.48 139.8 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -147.54 158.66 44.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.444 ' HB3' HD12 ' A' ' 99' ' ' LEU . 43.0 t -163.42 152.89 14.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 4.7 m -79.45 -7.88 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.631 HD11 ' HB2' ' A' ' 73' ' ' ALA . 39.6 mt -97.58 -43.29 7.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.444 HD12 ' HB3' ' A' ' 96' ' ' SER . 13.5 mt -72.58 139.2 47.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.4 p -80.05 153.37 28.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -27.95 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 m -79.22 -64.63 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -48.25 -56.53 7.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -44.13 -52.13 7.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 86.3 m -41.23 -49.16 3.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -56.11 -63.03 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.674 ' C ' HD23 ' A' ' 107' ' ' LEU . 5.7 tt -41.23 -35.27 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -69.7 -59.95 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 89.2 m -44.28 -31.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 111' ' ' LEU . 83.4 m-20 -88.67 -47.92 7.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.718 HD22 ' CG2' ' A' ' 94' ' ' VAL . 14.2 tp -36.45 -46.29 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 113' ' ' ALA . 5.3 m -68.24 -59.87 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 112' ' ' THR . . . -34.02 -46.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PHE . . . . . 0.667 ' CG ' ' CD1' ' A' ' 131' ' ' TRP . 30.8 t80 -51.76 -64.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.003 HD11 ' HB2' ' A' ' 128' ' ' ALA . 13.6 mt -64.02 -24.77 67.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.666 ' HA ' HD11 ' A' ' 89' ' ' LEU . 9.5 tp60 -80.46 -23.79 39.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 113' ' ' ALA . 22.1 tptt -68.58 -56.38 8.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -103.27 -53.6 2.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' CYS . . . . . 0.462 ' C ' ' O ' ' A' ' 115' ' ' LEU . 13.3 m -75.61 52.48 0.65 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -76.0 93.65 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 98.86 -55.23 1.0 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.485 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -39.45 148.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.898 0.38 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 123' ' ' VAL . 19.5 m -80.72 111.79 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' CYS . . . . . 0.5 ' N ' ' OE2' ' A' ' 16' ' ' GLU . 16.8 m -161.91 105.77 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.769 HD11 HD21 ' A' ' 81' ' ' LEU . 24.5 mm -96.25 -30.71 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 128' ' ' ALA . 13.0 mt -59.82 -57.39 13.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.96 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.465 ' C ' HD21 ' A' ' 115' ' ' LEU . 5.4 m120 -36.53 -29.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 1.003 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -71.22 -57.29 4.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.44 HG22 HD22 ' A' ' 77' ' ' LEU . 67.2 p -55.22 -55.97 25.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -52.58 -23.66 6.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.667 ' CD1' ' CG ' ' A' ' 114' ' ' PHE . 4.6 t90 -88.34 -20.59 25.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.459 HG23 HD13 ' A' ' 111' ' ' LEU . 20.9 t -85.86 -51.98 12.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.145 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.41 ' HA ' HD13 ' A' ' 65' ' ' LEU . 4.7 ptt180 -50.3 -28.49 7.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -87.82 -50.38 6.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' HIS . . . . . 0.532 ' ND1' ' CE2' ' A' ' 131' ' ' TRP . 9.1 m80 -67.68 -58.84 3.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.645 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -34.11 -63.96 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.058 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 136' ' ' ALA . 26.4 p -37.13 -44.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.62 -50.74 64.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -61.5 -44.15 97.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.961 0.41 . . . . 0.0 110.941 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.958 HG11 ' HB ' ' A' ' 67' ' ' VAL . 61.4 t -39.33 107.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.106 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 9.5 t -105.81 149.01 26.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 21.5 ttt-85 -106.45 148.76 27.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -160.66 130.45 5.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 76.2 p -92.79 134.04 35.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.4 t -97.96 95.52 7.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 19.9 m -66.65 132.81 48.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.4 m -121.1 127.26 51.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -76.97 -116.73 0.15 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.433 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 169.62 18.47 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.377 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 5.6 m -103.42 147.79 26.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 32.9 t -68.88 151.3 46.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.516 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? . . . . . 0 N--CA 1.458 -0.045 0 CA-C-O 120.857 0.361 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -52.31 -51.3 59.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.2 -38.38 76.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -74.6 -29.83 61.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.21 -36.87 83.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.446 ' HB2' HD21 ' A' ' 41' ' ' LEU . 53.6 mt-30 -79.49 -60.1 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.1 tp -45.13 -53.59 7.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -39.99 -58.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 19' ' ' LEU . 12.1 tt0 -52.78 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.2 mt -38.73 -53.11 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -53.39 -39.54 64.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 16' ' ' GLU . 13.0 tp -69.34 -57.35 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' ALA . 25.5 mt -40.49 -57.46 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -35.75 -41.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t -75.41 -45.03 41.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' LEU . 97.3 mmm -50.95 -25.83 5.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.729 . . . . 0.0 110.88 -179.918 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.802 0.334 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -106.52 -41.67 5.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.587 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -142.64 131.72 23.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.439 HD13 ' ND2' ' A' ' 62' ' ' ASN . 4.6 mp -133.19 129.82 57.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.0 p -108.26 121.4 61.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.47 -39.87 18.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -95.32 79.03 3.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.431 ' NE2' ' HA ' ' A' ' 35' ' ' GLN . 4.4 tp-100 -75.41 -38.57 59.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.1 tp -48.68 -43.32 36.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.32 -54.25 11.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.9 t -56.03 -51.47 61.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.42 -44.6 24.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.077 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -65.4 -34.63 78.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.446 HD21 ' HB2' ' A' ' 13' ' ' GLN . 10.4 tp -71.41 -25.86 62.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -83.6 -36.52 23.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -76.54 -43.26 39.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.836 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 9.9 p -49.57 -39.42 34.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.5 mt -65.98 -50.45 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.946 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.911 0.386 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -81.13 145.09 31.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -69.48 97.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -101.21 126.53 47.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 43.9 p90 -154.55 132.35 11.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.6 m -97.44 148.79 22.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.5 mt -123.53 116.69 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.439 ' ND2' HD13 ' A' ' 31' ' ' ILE . 67.0 m-80 -93.07 115.71 28.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 34.5 mtp -118.08 123.72 46.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.548 ' HB3' ' HE1' ' A' ' 74' ' ' MET . 34.8 p-10 -87.01 113.97 23.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.702 HD13 ' HA ' ' A' ' 133' ' ' ARG . 0.3 OUTLIER -142.36 161.94 36.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -93.97 147.14 23.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.605 HG23 ' N ' ' A' ' 68' ' ' SER . 27.1 m -116.57 -51.76 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.605 ' N ' HG23 ' A' ' 67' ' ' VAL . 3.1 m -166.53 -179.44 4.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 45.11 41.23 5.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 41.6 35.68 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -113.0 164.25 13.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.451 ' HE2' ' HB2' ' A' ' 64' ' ' ASN . 18.3 mtp -122.56 159.3 28.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.675 ' CB ' HD21 ' A' ' 98' ' ' LEU . . . -154.91 159.49 40.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.548 ' HE1' ' HB3' ' A' ' 64' ' ' ASN . 2.2 tpt -91.84 141.17 28.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.801 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 9.3 m-85 -120.58 109.97 15.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.1 m -85.92 122.68 30.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.812 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.617 ' HG ' HG22 ' A' ' 94' ' ' VAL . 5.8 mp -114.89 93.5 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.25 93.36 1.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 30.4 m -92.94 133.56 35.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.8 mt -127.99 123.39 60.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.8 mt -97.51 111.7 59.23 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.578 0.704 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -179.49 2.98 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.331 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -90.63 27.35 1.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.848 ' HB2' HG22 ' A' ' 88' ' ' VAL . 4.2 mttm -125.12 -43.05 1.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.669 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.8 t80 -31.24 140.73 0.15 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.669 0.747 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.669 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.8 -8.66 10.7 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.381 -0.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.486 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -31.91 -73.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.848 HG22 ' HB2' ' A' ' 84' ' ' LYS . 10.4 m -109.13 130.75 61.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 43.5 mt -51.06 153.63 3.06 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.594 0.712 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.616 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.2 Cg_endo -69.74 176.8 6.28 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.711 2.274 . . . . 0.0 112.287 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -107.31 55.37 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.0 mt -59.85 118.15 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 89.8 m -120.18 103.06 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.617 HG22 ' HG ' ' A' ' 77' ' ' LEU . 11.0 t -76.81 135.32 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -142.48 141.91 32.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 98' ' ' LEU . 6.4 t -166.59 121.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.7 HG23 HD12 ' A' ' 98' ' ' LEU . 35.7 m -39.5 -29.27 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.104 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.7 HD12 HG23 ' A' ' 97' ' ' VAL . 8.8 mp -60.77 -55.85 28.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.437 HD13 HD13 ' A' ' 107' ' ' LEU . 13.0 mt -71.27 137.57 48.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 89.9 p -86.16 177.65 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -57.74 -48.63 79.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.8 m -61.47 -64.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 104' ' ' GLN . 33.0 mm-40 -49.74 -67.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 103' ' ' GLN . 16.0 tp60 -34.47 -49.97 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 52.1 m -50.9 -64.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -51.01 -46.86 61.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.437 HD13 HD13 ' A' ' 99' ' ' LEU . 9.2 tt -49.8 -61.51 2.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -49.84 -60.58 2.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 94.8 m -39.39 -36.83 0.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 111' ' ' LEU . 0.7 OUTLIER -76.79 -57.02 4.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.744 HD11 ' HB1' ' A' ' 128' ' ' ALA . 15.4 tp -37.48 -42.66 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.9 m -65.93 -51.84 55.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -49.1 -50.32 37.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 113' ' ' ALA . 14.0 t80 -36.04 -59.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 116' ' ' GLN . 12.1 mt -61.89 -57.58 11.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 115' ' ' LEU . 79.2 mt-30 -34.82 -34.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 115' ' ' LEU . 0.1 OUTLIER -93.54 -64.64 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -63.42 -65.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 60.4 m -97.88 105.56 17.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -134.92 111.13 9.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 85.63 36.13 10.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -151.89 166.83 30.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.572 ' O ' HG23 ' A' ' 123' ' ' VAL . 17.0 m -96.98 86.89 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 83.0 m -132.86 92.49 3.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.3 mm -89.31 -22.95 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 128' ' ' ALA . 56.7 mt -73.16 -51.51 17.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 126' ' ' LEU . 5.9 m120 -36.69 -29.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.744 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -77.31 -61.94 1.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.073 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 72.1 p -43.03 -32.39 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -74.72 -37.93 62.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.496 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 38.7 t90 -72.96 -20.09 61.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 134' ' ' GLU . 39.4 t -80.95 -67.33 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.702 ' HA ' HD13 ' A' ' 65' ' ' LEU . 14.3 ptm180 -36.48 -31.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 132' ' ' VAL . 9.5 mt-10 -79.6 -61.43 2.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.496 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 13.9 m-70 -64.97 -55.07 21.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.801 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -33.93 -68.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 14.9 m -40.65 -41.78 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -65.41 -50.37 55.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.47 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -51.43 -48.54 62.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.904 0.383 . . . . 0.0 110.893 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.129 179.915 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.867 0.365 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -40.82 -48.28 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.06 -40.19 30.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.072 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' ALA . 34.1 mt-10 -66.59 -51.52 55.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.507 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -35.3 -65.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -47.8 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.505 HD11 ' HE2' ' A' ' 42' ' ' LYS . 31.5 tp -40.89 -51.77 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -34.77 -67.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -47.78 -61.42 1.96 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.727 ' HA ' HD12 ' A' ' 20' ' ' LEU . 76.7 mt -41.34 -46.42 3.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -57.82 -43.95 86.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.1 tp -66.02 -46.1 79.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' A' ' 17' ' ' LEU . 9.0 mt -55.6 -63.34 1.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -36.52 -47.37 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -66.74 -44.29 81.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 62.4 mmm -55.21 -41.21 71.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.624 0.726 . . . . 0.0 110.871 -179.927 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.783 0.325 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -91.37 -64.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.518 HD21 HG23 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -134.48 139.32 45.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.514 HD13 ' ND2' ' A' ' 62' ' ' ASN . 5.1 mp -131.86 121.63 47.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.546 HG22 ' HB2' ' A' ' 59' ' ' PHE . 55.3 t -102.12 94.53 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -61.07 -52.85 63.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.514 ' O ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -75.03 133.47 41.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -123.96 -34.12 3.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -56.32 -63.52 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -38.05 -54.46 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.87 -56.01 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.95 -40.59 22.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -69.03 -43.81 73.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.0 tp -56.33 -52.43 64.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.505 ' HE2' HD11 ' A' ' 14' ' ' LEU . 11.0 mttm -58.43 -47.1 85.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -60.17 -39.88 87.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 78.0 m -54.21 -49.94 68.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.5 mt -56.93 -51.01 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.921 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.949 0.404 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.444 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 3.9 mtmp? -77.63 145.17 36.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.7 t -65.34 106.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -100.77 126.12 47.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.546 ' HB2' HG22 ' A' ' 32' ' ' VAL . 18.9 p90 -157.93 128.21 6.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 74.9 m -95.87 151.33 19.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.454 HG12 HD12 ' A' ' 30' ' ' LEU . 22.7 mt -124.5 116.66 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.514 ' ND2' HD13 ' A' ' 31' ' ' ILE . 84.8 m-20 -92.83 125.66 37.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 41.5 mtp -131.63 114.18 14.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -84.02 123.99 30.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.552 HD13 ' HA ' ' A' ' 133' ' ' ARG . 1.4 mt -143.74 148.01 35.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -75.34 134.67 40.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.623 HG23 ' N ' ' A' ' 68' ' ' SER . 34.4 m -107.31 -51.44 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.623 ' N ' HG23 ' A' ' 67' ' ' VAL . 2.4 m -174.52 177.23 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.0 t0 49.96 36.38 11.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 52.58 29.5 7.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -119.52 175.69 5.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.7 ptm -144.92 168.03 21.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.614 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -142.66 169.7 17.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.8 ttm -98.56 134.34 41.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -114.77 112.55 22.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 66.0 m -90.69 113.05 25.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.46 ' HG ' HG22 ' A' ' 94' ' ' VAL . 5.4 mp -103.56 95.97 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.664 ' HB3' ' HB ' ' A' ' 93' ' ' THR . . . -72.07 93.27 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 31.0 m -93.43 137.64 32.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.444 ' CG2' ' HB3' ' A' ' 56' ' ' LYS . 56.8 mt -139.46 123.41 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.413 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 59.4 mt -90.95 113.92 59.73 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.588 0.709 . . . . 0.0 110.972 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.8 178.29 4.74 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.391 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -90.88 26.92 1.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.859 ' HB2' HG22 ' A' ' 88' ' ' VAL . 4.9 mttt -126.74 -41.74 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.666 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 3.1 t80 -33.21 140.76 0.22 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.68 0.752 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.666 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.78 -9.37 11.01 Favored 'Cis proline' 0 C--N 1.342 0.221 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.335 -0.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.482 ' HB3' ' C ' ' A' ' 84' ' ' LYS . . . -31.09 -70.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.859 HG22 ' HB2' ' A' ' 84' ' ' LYS . 8.2 m -112.41 128.87 68.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.2 mp -42.91 158.24 0.23 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.633 0.73 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.596 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.85 -166.82 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -131.98 73.93 1.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.1 mt -80.96 136.13 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.664 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 95.2 m -124.61 113.52 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.191 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.46 HG22 ' HG ' ' A' ' 77' ' ' LEU . 21.9 t -91.09 119.44 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -130.71 143.46 50.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.6 t -159.46 140.55 12.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.542 HG13 HD23 ' A' ' 98' ' ' LEU . 9.8 p -58.29 -30.25 39.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.614 HD11 ' CB ' ' A' ' 73' ' ' ALA . 13.0 mt -69.39 -55.32 10.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.423 ' CD1' ' OE1' ' A' ' 104' ' ' GLN . 8.0 mt -70.18 150.27 46.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.453 ' H ' ' CG ' ' A' ' 103' ' ' GLN . 3.4 m -104.72 160.84 14.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -49.26 -33.06 11.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 t -66.14 -69.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.453 ' CG ' ' H ' ' A' ' 100' ' ' SER . 0.8 OUTLIER -58.88 -52.15 66.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.952 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.423 ' OE1' ' CD1' ' A' ' 99' ' ' LEU . 28.3 tp60 -43.69 -45.07 6.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 51.3 m -58.23 -46.0 86.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.9 tp60 -61.6 -43.82 98.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.503 HD12 ' CD2' ' A' ' 139' ' ' TYR . 9.0 tt -58.81 -53.5 57.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -50.71 -59.62 3.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 58.4 m -43.61 -35.37 1.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.47 -50.12 14.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.706 HD11 ' HB1' ' A' ' 128' ' ' ALA . 27.3 tp -45.93 -47.43 16.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.0 m -66.19 -45.89 79.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.26 -49.74 68.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.134 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.52 ' CG ' ' CD1' ' A' ' 131' ' ' TRP . 3.9 t80 -41.21 -53.53 3.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.8 mt -66.02 -47.52 74.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -46.58 -21.63 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.426 ' HG3' ' CD2' ' A' ' 118' ' ' HIS . 13.8 tppt? -95.74 -64.71 1.03 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.426 ' CD2' ' HG3' ' A' ' 117' ' ' LYS . 30.5 m-70 -75.62 -66.55 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 62.7 m -83.56 94.42 8.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -136.88 130.88 32.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 70.7 35.62 66.86 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -154.89 -178.26 7.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 123' ' ' VAL . 35.3 m -111.51 104.4 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 7.5 m -152.69 104.99 2.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 28.7 mm -93.75 -55.07 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mt -42.91 -44.95 4.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -39.33 -38.78 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.706 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -70.3 -44.62 67.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 64.8 p -59.49 -36.0 75.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -75.9 -17.24 59.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.744 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 11.8 t90 -94.13 -18.2 22.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.506 HG23 HD13 ' A' ' 111' ' ' LEU . 41.6 t -86.62 -57.38 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.552 ' HA ' HD13 ' A' ' 65' ' ' LEU . 15.2 ptm180 -43.3 -29.79 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -85.95 -67.82 0.78 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.744 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 28.6 m-70 -51.55 -53.12 41.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.65 -69.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.057 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 136' ' ' ALA . 74.5 p -36.02 -43.03 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -59.73 -48.74 84.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.503 ' CD2' HD12 ' A' ' 107' ' ' LEU . 82.1 m-85 -62.96 -52.5 62.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.942 0.401 . . . . 0.0 110.939 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.476 HG11 ' HB ' ' A' ' 67' ' ' VAL . 78.9 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.161 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -47.03 -42.99 19.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.16 -42.69 86.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' ALA . 39.1 mt-10 -64.39 -54.54 31.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.655 ' O ' HG11 ' A' ' 123' ' ' VAL . . . -37.65 -39.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -74.35 -63.94 1.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.594 ' HA ' HD12 ' A' ' 17' ' ' LEU . 36.3 tp -45.92 -56.2 5.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.87 -53.61 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -60.25 -61.83 2.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 14' ' ' LEU . 13.5 mt -42.75 -54.0 4.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -51.43 -42.44 61.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.5 tp -66.54 -50.82 61.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 23' ' ' MET . 43.7 mt -50.8 -61.2 2.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -37.03 -42.11 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.1 m -79.92 -39.39 30.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 20' ' ' LEU . 73.7 mmm -50.38 -45.0 55.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.492 ' CB ' ' CD ' ' A' ' 29' ' ' GLU . 55.0 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.665 0.745 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.855 0.36 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.492 ' CD ' ' CB ' ' A' ' 24' ' ' PHE . 2.4 pp20? -117.22 -38.74 3.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.578 ' O ' HD23 ' A' ' 30' ' ' LEU . 1.6 tt -144.0 123.58 13.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mp -123.68 118.12 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.792 HG22 ' HB3' ' A' ' 59' ' ' PHE . 43.2 t -98.03 98.22 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.51 -44.97 81.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -78.32 98.56 5.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 32' ' ' VAL . 8.9 mp0 -88.78 -36.65 15.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 tp -59.04 -40.51 85.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.95 69.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.058 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -82.19 -54.06 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.84 -43.88 39.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -68.18 -42.86 79.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.8 tp -56.36 -45.7 80.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -57.07 -51.06 70.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -58.32 -56.62 19.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.3 m -38.51 -49.11 1.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 80.6 mt -59.36 -57.76 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.94 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.8 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.997 0.427 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 mttp -79.7 136.49 36.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.2 t -70.03 101.63 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.529 ' HE1' ' HB1' ' A' ' 78' ' ' ALA . 18.6 t80 -106.9 119.04 38.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.792 ' HB3' HG22 ' A' ' 32' ' ' VAL . 21.0 p90 -149.45 130.16 14.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 96.9 m -97.69 148.5 23.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.421 HG22 ' HG3' ' A' ' 63' ' ' MET . 62.8 mt -122.99 120.22 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -92.53 110.39 21.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.421 ' HG3' HG22 ' A' ' 61' ' ' ILE . 39.2 mtp -117.44 115.24 24.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.445 ' N ' ' SD ' ' A' ' 74' ' ' MET . 25.1 p30 -86.7 115.07 23.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.447 ' CD1' ' HA ' ' A' ' 133' ' ' ARG . 0.4 OUTLIER -140.78 162.15 36.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -82.26 145.59 29.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.63 ' HB ' HG11 ' A' ' 140' ' ' VAL . 3.7 m -126.87 -47.91 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -166.0 179.22 5.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.828 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 70' ' ' GLU . 19.3 m-20 45.45 43.01 8.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 69' ' ' ASP . 13.5 tt0 37.06 36.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -117.4 170.45 8.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.8 mtp -121.08 158.43 27.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.917 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -154.53 159.3 40.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.445 ' SD ' ' N ' ' A' ' 64' ' ' ASN . 1.6 tpt -96.95 151.22 19.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -126.91 131.66 51.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -96.31 112.23 24.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.838 ' HG ' HG22 ' A' ' 94' ' ' VAL . 5.2 mp -106.6 92.71 4.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.529 ' HB1' ' HE1' ' A' ' 58' ' ' TYR . . . -75.5 95.67 3.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 44.3 t -97.55 115.68 28.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 85.4 mt -113.29 125.7 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.516 HD11 HD21 ' A' ' 17' ' ' LEU . 35.6 mt -94.57 118.87 66.87 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.648 0.737 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -170.56 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.322 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -99.12 24.86 7.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.614 ' HB2' HG22 ' A' ' 88' ' ' VAL . 6.9 mttp -124.28 -38.6 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.678 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 3.0 t80 -33.88 140.89 0.24 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.686 0.755 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.678 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.79 -10.23 11.45 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 -1.804 . . . . 0.0 112.331 -0.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.488 ' C ' ' O ' ' A' ' 86' ' ' PRO . . . -30.56 -72.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.614 HG22 ' HB2' ' A' ' 84' ' ' LYS . 2.9 m -109.0 127.58 65.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 29.2 mt -46.38 158.04 0.41 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.605 0.717 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.612 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.2 Cg_endo -69.81 -173.02 0.65 Allowed 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.725 2.283 . . . . 0.0 112.311 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -125.48 62.81 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 43.2 mt -68.51 135.02 29.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.8 m -125.95 98.94 5.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.838 HG22 ' HG ' ' A' ' 77' ' ' LEU . 75.8 t -76.13 133.75 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -145.02 158.02 43.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.1 t -169.34 121.46 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.6 t -41.79 -37.57 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.917 HD11 ' CB ' ' A' ' 73' ' ' ALA . 4.7 mt -56.02 -56.58 19.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.6 mt -58.83 178.52 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 102' ' ' SER . 49.2 m -122.83 140.12 53.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 100' ' ' SER . 15.0 tpt180 -35.95 -30.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 100' ' ' SER . 4.1 m -82.48 -56.19 4.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -52.11 -58.11 7.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.457 ' OE1' ' ND2' ' A' ' 108' ' ' ASN . 4.5 tp-100 -44.87 -49.32 10.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 57.7 m -41.01 -39.9 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -72.7 -42.06 64.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.517 HD22 ' HB ' ' A' ' 94' ' ' VAL . 10.3 tt -54.64 -54.21 44.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.457 ' ND2' ' OE1' ' A' ' 104' ' ' GLN . 16.0 m-80 -53.73 -60.92 2.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 85.5 m -38.59 -35.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 111' ' ' LEU . 1.8 m-20 -82.69 -54.17 5.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.747 HD13 ' CG2' ' A' ' 132' ' ' VAL . 12.6 tp -35.56 -62.44 0.4 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 113' ' ' ALA . 26.3 m -53.89 -58.4 7.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -37.13 -57.23 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.151 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 113' ' ' ALA . 5.7 t80 -36.96 -52.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.1 mt -66.05 -51.95 53.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -49.07 -19.94 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -87.42 -65.0 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -86.39 -66.62 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.821 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.45 ' SG ' ' CB ' ' A' ' 124' ' ' CYS . 98.2 m -76.43 90.23 3.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -133.27 105.76 7.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 96.81 -0.42 60.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.535 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -121.38 158.59 27.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.655 HG11 ' O ' ' A' ' 12' ' ' ALA . 3.5 m -82.22 95.12 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.45 ' CB ' ' SG ' ' A' ' 119' ' ' CYS . 88.2 m -134.33 87.95 2.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 125' ' ' ILE . 18.6 mm -88.05 -39.92 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.27 -47.48 85.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -39.94 -32.34 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.415 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -75.08 -58.86 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 77.6 p -52.27 -21.38 3.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -88.11 -33.27 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.677 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 5.2 t90 -82.88 -18.25 40.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.747 ' CG2' HD13 ' A' ' 111' ' ' LEU . 19.5 t -87.04 -49.85 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.447 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 15.1 ptp180 -45.49 -25.89 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -95.19 -67.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.677 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 6.1 m-70 -44.24 -45.25 8.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.825 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -42.32 -66.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.05 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 19.8 t -53.77 -17.13 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -75.2 -25.09 69.48 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -94.77 -18.51 21.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.949 0.404 . . . . 0.0 110.965 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.63 HG11 ' HB ' ' A' ' 67' ' ' VAL . 5.4 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.769 0.319 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 11' ' ' GLU . 1.1 tp-100 -51.73 -55.64 18.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' GLN . . . -34.95 -33.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 9' ' ' GLN . 41.1 mt-10 -75.91 -50.5 14.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.53 ' O ' HG11 ' A' ' 123' ' ' VAL . . . -35.23 -44.81 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -71.81 -46.61 57.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.694 HD11 ' HD2' ' A' ' 42' ' ' LYS . 58.6 tp -59.16 -57.05 14.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.84 -55.32 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -60.42 -60.53 3.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.0 mt -42.33 -51.57 4.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -52.86 -41.89 64.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.4 tp -68.85 -56.96 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.0 mt -41.76 -57.15 2.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.25 -41.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -78.49 -45.89 20.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 73.3 mmm -44.93 -39.1 5.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 110.891 -179.976 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 . . . . . 0 C--O 1.229 0.026 0 CA-C-O 120.816 0.341 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -89.67 -57.46 2.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.504 HD23 ' C ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -116.16 145.63 42.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.95 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mp -141.38 118.8 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.455 HG22 ' HB3' ' A' ' 59' ' ' PHE . 52.9 t -93.91 96.38 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -55.94 -52.35 64.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -86.32 86.59 7.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -66.81 -48.93 67.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 37' ' ' ALA . 9.8 tp -52.57 -46.72 67.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' LEU . . . -37.29 -43.89 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.054 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.794 HG12 ' HE2' ' A' ' 42' ' ' LYS . 99.5 t -76.08 -58.05 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.81 -46.37 3.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.6 -37.27 85.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.457 ' CD2' ' HB2' ' A' ' 14' ' ' LEU . 15.0 tp -55.55 -37.25 67.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.794 ' HE2' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -73.52 -54.3 8.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.856 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -46.85 -39.42 11.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.7 m -61.89 -52.99 61.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.0 mt -62.6 -50.23 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 179.922 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.5 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.938 0.399 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.403 ' HB3' HG23 ' A' ' 80' ' ' ILE . 1.5 mtmp? -50.74 154.85 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.8 t -83.18 103.54 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.425 ' HE1' ' HB1' ' A' ' 78' ' ' ALA . 16.8 t80 -112.6 113.5 25.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.606 ' CE2' ' SG ' ' A' ' 79' ' ' CYS . 9.9 p90 -133.71 126.45 30.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.6 m -89.28 137.1 32.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.0 mt -117.36 125.13 73.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -97.57 114.29 26.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.6 mtm -118.26 108.63 15.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -80.02 129.53 34.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.64 153.74 40.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -86.28 119.67 26.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.607 HG23 ' N ' ' A' ' 68' ' ' SER . 33.8 m -90.87 -50.49 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.607 ' N ' HG23 ' A' ' 67' ' ' VAL . 2.2 m -173.75 175.97 2.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 71' ' ' LYS . 49.7 m-20 47.06 53.34 10.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' ASP . 4.2 mm-40 38.23 27.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -116.76 173.84 6.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.5 ptm -145.45 -177.82 5.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.523 ' HB2' HD11 ' A' ' 98' ' ' LEU . . . -148.96 177.68 9.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.2 ttm -116.26 108.19 15.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -91.91 135.71 33.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 56.2 m -112.5 105.58 13.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.897 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.469 HD22 HG22 ' A' ' 129' ' ' THR . 7.8 mp -90.37 92.75 9.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.425 ' HB1' ' HE1' ' A' ' 58' ' ' TYR . . . -75.74 100.9 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.606 ' SG ' ' CE2' ' A' ' 59' ' ' PHE . 15.0 p -103.18 149.13 24.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.403 HG23 ' HB3' ' A' ' 56' ' ' LYS . 70.3 mt -140.51 110.89 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.432 HD23 ' HB3' ' A' ' 90' ' ' PRO . 61.4 mt -80.03 112.38 29.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.408 ' HG3' HG23 ' A' ' 88' ' ' VAL . 53.7 Cg_endo -69.75 -178.91 2.56 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.761 2.308 . . . . 0.0 112.339 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -90.27 27.04 1.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.722 ' HB2' HG22 ' A' ' 88' ' ' VAL . 1.1 mtpp -127.54 -42.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.698 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 3.2 t80 -28.27 141.34 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.68 0.752 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.698 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.6 Cg_endo -69.81 -7.94 10.32 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.325 -0.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.532 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -30.32 -72.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.722 HG22 ' HB2' ' A' ' 84' ' ' LYS . 15.6 m -110.45 128.77 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.463 HD13 ' HB2' ' A' ' 115' ' ' LEU . 57.0 mt -48.04 156.06 0.79 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.719 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.608 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.74 -179.85 3.19 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.257 . . . . 0.0 112.363 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -111.31 66.02 0.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.8 mt -70.95 125.79 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 89.4 m -123.18 103.73 8.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.41 HG22 ' HG ' ' A' ' 77' ' ' LEU . 37.5 t -76.82 131.94 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -134.38 143.04 47.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.4 t -164.66 127.31 2.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.529 HG23 HD23 ' A' ' 98' ' ' LEU . 33.3 m -52.5 -23.79 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.529 HD23 HG23 ' A' ' 97' ' ' VAL . 13.6 mt -73.83 -51.41 16.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.637 HD11 HD13 ' A' ' 107' ' ' LEU . 76.8 mt -63.71 135.15 56.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.6 t -82.32 171.98 13.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.9 mtp85 -55.43 -41.36 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.8 m -74.91 -64.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -42.0 -59.29 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -40.39 -52.65 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 90.1 m -47.65 -58.04 4.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -52.38 -45.34 65.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.637 HD13 HD11 ' A' ' 99' ' ' LEU . 9.9 tt -54.27 -58.57 6.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -55.16 -60.49 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 75.4 m -40.44 -42.38 1.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.82 -55.42 11.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.573 HD11 ' HB1' ' A' ' 128' ' ' ALA . 13.7 tp -42.5 -55.52 3.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 75.7 m -56.27 -44.36 79.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -55.12 -49.4 71.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -38.89 -63.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.503 HD11 ' HB2' ' A' ' 128' ' ' ALA . 10.3 mt -58.13 -57.41 12.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 115' ' ' LEU . 33.6 mm-40 -34.79 -36.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.942 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 115' ' ' LEU . 6.7 ttmm -96.19 -65.14 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -51.82 -62.19 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.826 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.8 m -119.23 111.98 18.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -132.16 96.99 4.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 112.13 35.21 1.84 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.535 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -157.89 171.96 19.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 123' ' ' VAL . 34.0 m -99.89 94.4 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.429 ' HB3' ' CG ' ' A' ' 127' ' ' ASN . 64.0 m -134.79 56.58 1.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 90' ' ' PRO . 31.3 mm -57.73 -43.34 83.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.6 mt -52.8 -40.02 62.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.429 ' CG ' ' HB3' ' A' ' 124' ' ' CYS . 2.1 m-20 -55.63 -35.19 65.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.573 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -67.64 -52.22 40.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.469 HG22 HD22 ' A' ' 77' ' ' LEU . 69.0 p -58.81 -33.61 70.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.156 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -69.48 -17.68 63.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.661 ' CZ2' ' CE1' ' A' ' 135' ' ' HIS . 12.4 t90 -90.66 -26.05 19.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.482 ' CG2' HD22 ' A' ' 111' ' ' LEU . 70.9 t -84.97 -51.91 13.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 134' ' ' GLU . 22.3 ptt180 -38.5 -32.12 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.439 ' N ' ' HG3' ' A' ' 133' ' ' ARG . 49.5 tp10 -94.37 -67.58 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.661 ' CE1' ' CZ2' ' A' ' 131' ' ' TRP . 18.1 m-70 -43.51 -50.72 7.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -34.13 -69.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.3 m -43.97 -37.1 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -58.07 -54.6 36.23 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.405 ' CD2' HD12 ' A' ' 107' ' ' LEU . 92.3 m-85 -59.25 -48.38 81.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.932 0.396 . . . . 0.0 110.946 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.504 HG11 ' HB ' ' A' ' 67' ' ' VAL . 60.4 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.769 0.319 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -71.95 -41.58 67.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.84 75.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -75.13 -42.72 55.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.49 -44.3 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -71.84 -57.73 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 15' ' ' ALA . 46.8 tp -44.59 -51.19 9.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.26 -58.99 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.433 ' OE1' HD23 ' A' ' 19' ' ' LEU . 6.6 tp10 -57.43 -64.71 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.64 HD21 HG11 ' A' ' 57' ' ' VAL . 83.9 mt -37.56 -40.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -65.25 -48.18 74.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.433 HD23 ' OE1' ' A' ' 16' ' ' GLU . 9.9 tp -60.19 -54.78 41.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' MET . 66.5 mt -47.93 -64.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.05 -44.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.11 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.1 m -71.02 -45.72 63.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 20' ' ' LEU . 83.8 mmm -56.68 -37.68 71.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.482 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.5 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.644 0.735 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.774 0.321 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -95.48 -59.03 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.477 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -139.62 135.94 33.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.412 HD13 ' ND2' ' A' ' 62' ' ' ASN . 5.2 mp -135.09 132.67 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.4 p -111.45 126.42 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -86.84 -42.15 13.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -96.32 86.82 4.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.22 -40.1 68.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mt -46.1 -52.45 12.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.549 ' HB1' HG22 ' A' ' 57' ' ' VAL . . . -37.67 -46.24 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 88.0 t -67.22 -56.16 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.65 -58.66 6.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -52.66 -40.73 63.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.4 tp -62.87 -41.92 99.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -64.07 -57.29 10.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -45.12 -42.31 8.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.4 t -55.32 -44.18 75.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.7 mt -76.64 -51.14 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.6 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.928 0.394 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -63.0 139.93 58.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.64 HG11 HD21 ' A' ' 17' ' ' LEU . 67.5 t -65.39 95.64 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -100.55 114.58 28.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -147.16 126.66 13.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 83.9 m -96.69 148.18 23.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.482 HG23 ' CE2' ' A' ' 24' ' ' PHE . 97.5 mt -121.85 126.2 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.412 ' ND2' HD13 ' A' ' 31' ' ' ILE . 67.0 m-80 -96.43 133.7 40.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.403 ' HE1' ' O ' ' A' ' 129' ' ' THR . 16.4 mtm -144.52 110.81 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 34.7 p30 -82.74 130.25 35.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.456 ' CD1' ' HA ' ' A' ' 133' ' ' ARG . 0.5 OUTLIER -142.54 149.77 39.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.85 121.83 24.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.557 HG23 ' N ' ' A' ' 68' ' ' SER . 27.5 m -100.51 -48.85 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.557 ' N ' HG23 ' A' ' 67' ' ' VAL . 1.2 t -170.59 175.57 4.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.7 m-20 45.08 53.28 7.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' ASP . 3.7 pt-20 36.95 29.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -118.85 171.39 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.2 ptm -145.31 165.08 29.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.585 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -138.83 161.95 36.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.7 ttm -94.75 123.74 38.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.707 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 8.9 m-85 -104.46 111.77 24.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.5 m -85.04 116.31 23.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.481 ' HG ' HG22 ' A' ' 94' ' ' VAL . 6.7 mp -102.88 94.11 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.34 98.13 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 41.9 t -98.47 139.32 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 89.9 mt -134.79 111.08 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.14 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.814 HD23 ' HB3' ' A' ' 90' ' ' PRO . 18.6 mt -91.3 113.0 56.96 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.545 0.688 . . . . 0.0 110.957 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -173.32 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.649 2.233 . . . . 0.0 112.387 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -87.24 -10.47 52.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.814 ' HB2' HG22 ' A' ' 88' ' ' VAL . 1.2 mmpt? -80.42 -50.24 10.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.665 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.0 t80 -26.41 141.23 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.638 0.732 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.665 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.5 Cg_endo -69.75 -13.01 12.34 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.315 -0.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.613 ' HB3' ' HB3' ' A' ' 84' ' ' LYS . . . -32.38 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.814 HG22 ' HB2' ' A' ' 84' ' ' LYS . 2.9 m -101.39 126.77 55.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.436 HD12 ' HG2' ' A' ' 116' ' ' GLN . 59.4 mt -51.68 157.26 1.96 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.597 0.713 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.814 ' HB3' HD23 ' A' ' 81' ' ' LEU . 53.9 Cg_endo -69.73 -167.67 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.745 2.297 . . . . 0.0 112.32 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -129.48 70.85 1.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 29.0 mt -77.97 126.67 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.563 HG22 ' HD2' ' A' ' 95' ' ' ARG . 25.8 m -122.34 105.41 10.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.481 HG22 ' HG ' ' A' ' 77' ' ' LEU . 33.2 t -73.83 127.29 35.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.563 ' HD2' HG22 ' A' ' 93' ' ' THR . 0.3 OUTLIER -122.01 149.61 43.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.5 t -167.53 133.43 2.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 34.8 m -64.56 -22.8 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.585 HD11 ' CB ' ' A' ' 73' ' ' ALA . 14.0 mt -77.2 -43.99 31.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.515 HD11 HD13 ' A' ' 107' ' ' LEU . 42.3 mt -64.53 144.08 57.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.4 p -91.93 168.9 11.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -56.61 -23.65 42.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.7 t -88.91 -63.67 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 104' ' ' GLN . 0.6 OUTLIER -45.4 -61.56 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.467 ' HA ' ' NE2' ' A' ' 104' ' ' GLN . 4.7 tp60 -35.83 -53.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 37.3 m -48.67 -66.31 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 17.0 tp60 -47.55 -47.5 28.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.663 HD11 ' HA ' ' A' ' 136' ' ' ALA . 10.5 tt -48.54 -57.25 6.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -61.9 -43.3 99.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 57.8 m -42.98 -42.32 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -79.03 -44.75 21.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.482 HD11 ' HB1' ' A' ' 128' ' ' ALA . 13.5 tp -41.61 -38.58 1.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 98.2 m -74.69 -39.99 61.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -55.07 -60.79 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.428 ' CE2' ' ND2' ' A' ' 127' ' ' ASN . 25.6 t80 -37.28 -62.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 21.5 mt -53.92 -56.46 17.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.436 ' HG2' HD12 ' A' ' 89' ' ' LEU . 8.5 mm-40 -41.81 -27.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -95.79 -65.05 1.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -64.99 -64.29 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.844 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 6.3 t -88.48 99.31 12.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -138.74 108.98 6.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 97.32 -19.97 52.63 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.04 170.99 7.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 0.0 110.839 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.686 ' O ' HG23 ' A' ' 123' ' ' VAL . 35.1 m -99.9 99.78 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 23.7 m -135.02 96.94 3.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.565 HD11 HD21 ' A' ' 81' ' ' LEU . 39.8 mm -94.48 -31.56 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.184 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.36 -30.29 71.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.428 ' ND2' ' CE2' ' A' ' 114' ' ' PHE . 7.6 t30 -62.34 -21.14 65.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.482 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -81.78 -50.96 8.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.403 ' O ' ' HE1' ' A' ' 63' ' ' MET . 63.8 p -59.26 -35.91 74.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -72.5 -17.84 61.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.742 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 14.3 t90 -92.78 -30.93 15.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 134' ' ' GLU . 40.8 t -80.62 -52.46 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.456 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 1.9 ptm85 -36.61 -29.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 132' ' ' VAL . 34.3 tt0 -95.02 -53.62 3.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.742 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 19.1 m-70 -58.89 -54.68 44.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.707 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -33.35 -68.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.1 t -51.79 -41.71 61.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -51.64 -41.32 49.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.469 ' CZ ' ' HA ' ' A' ' 107' ' ' LEU . 71.3 m-85 -69.16 -45.73 69.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.947 0.403 . . . . 0.0 110.915 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 52.6 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.895 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.775 0.321 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.506 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 21.0 tt0 -41.77 -52.18 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.7 -51.59 66.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.78 -31.7 68.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 9' ' ' GLN . . . -51.36 -48.65 62.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.103 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -64.45 -62.32 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.579 ' HA ' HD12 ' A' ' 17' ' ' LEU . 25.6 tp -46.13 -40.25 10.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.71 -65.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.404 ' HG2' ' N ' ' A' ' 17' ' ' LEU . 3.7 pt-20 -54.64 -39.2 67.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.648 HD21 HG11 ' A' ' 57' ' ' VAL . 26.3 mt -55.71 -40.55 72.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -70.36 -41.77 72.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.891 HD23 ' HG2' ' A' ' 23' ' ' MET . 2.5 tt -62.84 -57.93 9.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mt -44.28 -57.17 3.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.04 -42.66 2.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 m -77.16 -42.65 36.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.891 ' HG2' HD23 ' A' ' 19' ' ' LEU . 89.9 mmm -53.77 -31.5 48.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.624 0.726 . . . . 0.0 110.916 -179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.789 0.328 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -104.86 -46.29 4.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.583 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -136.01 129.96 32.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.502 HD12 ' N ' ' A' ' 31' ' ' ILE . 4.3 mp -127.55 135.17 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -111.47 114.39 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -75.26 -48.39 23.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -93.23 97.38 10.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -87.37 -45.78 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tp -44.92 -53.23 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -37.44 -52.44 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.5 t -63.25 -52.06 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -42.35 -46.12 4.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -61.5 -38.79 88.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.11 -47.31 85.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.402 ' HD2' HD13 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -59.61 -55.97 27.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -51.51 -41.01 60.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 97.7 m -56.63 -54.64 43.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.0 mt -60.42 -51.82 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.909 0.385 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.483 ' HB3' HG23 ' A' ' 80' ' ' ILE . 19.0 mtmt -70.27 138.41 51.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.648 HG11 HD21 ' A' ' 17' ' ' LEU . 60.9 t -68.66 95.47 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -94.8 110.98 22.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -140.96 129.29 22.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 42.8 m -93.95 146.29 24.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.158 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.4 mt -120.54 116.58 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -89.09 124.14 34.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 10.3 mtm -134.45 118.57 17.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.471 HD22 ' N ' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -93.97 127.82 39.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.471 ' N ' HD22 ' A' ' 64' ' ' ASN . 0.6 OUTLIER -137.0 157.21 47.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.84 136.77 32.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.481 HG11 HG11 ' A' ' 140' ' ' VAL . 1.3 m -114.17 -47.11 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.1 p -174.94 -177.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' LYS . 7.2 m-20 47.06 47.52 15.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 38.85 27.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 69' ' ' ASP . 7.4 mtmt -116.85 179.8 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.444 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 8.1 ptm -151.34 156.84 41.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.12 167.34 14.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.401 ' SD ' ' N ' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -107.69 121.92 45.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.401 ' N ' ' SD ' ' A' ' 74' ' ' MET . 4.2 m-85 -102.38 145.95 28.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 75.1 m -113.14 122.14 46.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.475 HD11 HG11 ' A' ' 132' ' ' VAL . 4.8 mp -109.62 94.51 5.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.98 103.28 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 46.4 t -103.87 142.64 34.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.483 HG23 ' HB3' ' A' ' 56' ' ' LYS . 59.2 mt -138.99 113.11 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.154 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.3 mt -85.54 115.74 62.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.597 0.713 . . . . 0.0 110.922 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -173.81 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.359 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.46 ' CE1' ' HG3' ' A' ' 56' ' ' LYS . 1.3 m-85 -86.31 -7.87 58.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.71 ' HB2' HG22 ' A' ' 88' ' ' VAL . 6.9 mttp -88.61 -46.01 9.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.735 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -29.96 141.06 0.11 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.679 0.752 . . . . 0.0 110.925 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.735 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.6 Cg_endo -69.77 -6.05 9.22 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.335 -0.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.487 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -35.81 -76.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.71 HG22 ' HB2' ' A' ' 84' ' ' LYS . 3.2 m -99.99 128.3 52.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.191 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.8 mt -43.55 159.1 0.23 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.56 0.695 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.632 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.72 -169.07 0.3 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.669 2.246 . . . . 0.0 112.355 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -128.16 66.6 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.2 mt -72.1 146.59 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.538 HG22 ' HD2' ' A' ' 95' ' ' ARG . 11.1 m -142.93 104.97 4.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.719 HG21 HD21 ' A' ' 107' ' ' LEU . 3.1 t -77.6 127.87 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.538 ' HD2' HG22 ' A' ' 93' ' ' THR . 0.2 OUTLIER -123.47 145.45 48.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 t -175.07 137.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.824 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.9 p -74.43 -22.93 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.089 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.07 -44.06 90.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.7 mt -70.58 140.19 51.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.3 t -72.02 176.04 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.4 mtm-85 -58.51 -37.43 75.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.8 t -92.98 -50.64 5.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -49.95 -25.29 3.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -72.18 -72.11 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.8 t -44.78 -29.51 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -64.03 -41.21 97.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.719 HD21 HG21 ' A' ' 94' ' ' VAL . 2.3 tt -69.25 -34.42 74.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.453 ' OD1' HG23 ' A' ' 94' ' ' VAL . 83.4 m-20 -73.85 -56.56 4.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.0 m -44.99 -34.05 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 111' ' ' LEU . 4.3 t70 -80.86 -52.79 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.92 HD11 ' HB1' ' A' ' 128' ' ' ALA . 4.7 tp -35.12 -57.47 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 84.2 m -59.87 -49.91 75.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.176 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -45.2 -57.52 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.587 ' O ' ' CD2' ' A' ' 118' ' ' HIS . 31.8 t80 -34.34 -51.33 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.6 mt -67.28 -54.62 19.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -48.45 -21.39 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.72 -65.6 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 114' ' ' PHE . 4.3 p80 -103.89 -63.69 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.406 ' H ' ' CG ' ' A' ' 118' ' ' HIS . 87.0 m -70.72 96.34 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -155.9 105.94 2.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 138.71 -30.93 2.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.17 168.8 11.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.358 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.631 ' O ' HG23 ' A' ' 123' ' ' VAL . 27.1 m -64.45 102.67 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 25.8 p -126.22 80.69 1.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.9 mm -90.97 -57.14 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 129' ' ' THR . 12.4 mt -50.49 -53.52 29.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -38.32 -31.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.92 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -78.03 -42.68 31.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 126' ' ' LEU . 23.1 p -65.54 -44.96 85.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -63.5 -15.49 58.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.73 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 14.7 t90 -94.48 -26.44 16.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.525 ' CG2' HD22 ' A' ' 111' ' ' LEU . 18.2 t -80.05 -46.18 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.439 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 8.4 ptm180 -55.38 -28.91 57.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -87.65 -64.62 1.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.73 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 15.6 m-70 -53.37 -46.65 69.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 132' ' ' VAL . . . -33.8 -71.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 10.1 p -42.44 -39.89 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -57.29 -49.07 75.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.494 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -63.81 -48.51 76.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.481 HG11 HG11 ' A' ' 67' ' ' VAL . 21.9 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.4 pm0 . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.773 0.32 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -66.92 -42.19 85.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.16 -33.2 73.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' ALA . 33.8 mt-10 -78.22 -48.09 16.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . -36.62 -47.64 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 82' ' ' PRO . 51.6 mt-30 -67.06 -62.33 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 15' ' ' ALA . 38.4 tp -46.99 -59.4 3.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -36.24 -56.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -59.34 -50.89 72.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.63 HD21 HG11 ' A' ' 57' ' ' VAL . 30.7 mt -44.89 -56.69 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -49.88 -47.93 51.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.51 -56.3 18.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 23' ' ' MET . 22.9 mt -47.43 -61.6 1.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.989 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.97 -40.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -74.33 -42.66 59.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' LEU . 92.0 mmm -60.03 -46.96 87.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 121.636 0.731 . . . . 0.0 110.863 -179.923 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 p30 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.766 0.317 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.54 -43.15 35.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.536 HD21 HG23 ' A' ' 32' ' ' VAL . 1.4 tt -143.43 137.57 28.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.61 116.94 25.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.536 HG23 HD21 ' A' ' 30' ' ' LEU . 76.6 t -96.54 93.88 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -65.51 -53.52 41.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.61 80.92 3.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -76.74 -46.53 24.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.529 ' C ' HD23 ' A' ' 36' ' ' LEU . 7.7 tt -44.44 -52.16 8.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -38.28 -52.88 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.079 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.6 t -58.79 -54.6 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -45.89 -46.94 16.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -65.87 -51.25 60.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.4 tp -43.5 -58.71 2.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -43.38 -39.46 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.952 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -69.66 -38.81 77.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 21.9 m -54.98 -43.06 73.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 40.3 mt -73.98 -52.43 20.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.91 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.4 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.932 0.396 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -78.06 110.97 13.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.63 HG11 HD21 ' A' ' 17' ' ' LEU . 91.5 t -55.95 97.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -100.16 120.49 39.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -150.71 120.02 6.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.3 m -89.98 145.66 24.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.5 mt -119.99 127.33 75.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.452 ' HB3' ' CE ' ' A' ' 74' ' ' MET . 83.3 m-20 -104.22 120.45 41.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.0 mtm -123.42 113.0 18.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -84.83 127.8 34.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -144.77 147.29 32.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -75.68 137.92 40.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.457 HG11 HG21 ' A' ' 140' ' ' VAL . 2.4 m -116.36 -47.48 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 78.6 p -174.2 -178.99 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 71' ' ' LYS . 3.4 t0 43.67 53.07 6.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' ASP . 8.0 tt0 35.44 32.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 69' ' ' ASP . 19.6 mtpp -122.92 177.67 5.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.4 ptm -147.2 156.35 42.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.601 ' HB1' HD23 ' A' ' 98' ' ' LEU . . . -127.06 161.58 28.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.119 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.452 ' CE ' ' HB3' ' A' ' 62' ' ' ASN . 2.2 tpt -101.74 131.19 48.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.565 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 7.2 m-85 -111.93 109.09 18.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 91.1 p -84.55 119.44 25.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.764 ' HG ' HG22 ' A' ' 94' ' ' VAL . 5.7 mp -107.81 93.01 4.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.97 97.08 1.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.0 m -96.43 141.94 29.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 81.2 mt -138.42 115.81 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.1 mt -88.33 110.01 33.05 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.577 0.703 . . . . 0.0 110.943 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.414 ' O ' ' NE2' ' A' ' 13' ' ' GLN . 53.4 Cg_endo -69.71 -174.83 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.242 . . . . 0.0 112.345 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -95.68 26.01 4.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.68 ' HB2' HG22 ' A' ' 88' ' ' VAL . 0.6 OUTLIER -121.48 -42.74 2.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.658 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.4 t80 -31.14 140.53 0.15 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.655 0.74 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.658 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.7 Cg_endo -69.71 -9.51 10.95 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.379 -0.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.477 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -31.71 -74.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.68 HG22 ' HB2' ' A' ' 84' ' ' LYS . 3.1 m -106.29 127.45 61.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 mp -50.5 157.08 1.33 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.578 0.704 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.605 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.7 Cg_endo -69.82 172.9 11.85 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.251 . . . . 0.0 112.357 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -111.77 77.85 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.424 HG21 HD23 ' A' ' 77' ' ' LEU . 39.9 mt -83.5 138.01 19.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.1 m -132.75 114.34 14.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.764 HG22 ' HG ' ' A' ' 77' ' ' LEU . 13.3 t -89.13 135.18 26.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -134.34 143.17 47.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.6 t -158.67 126.17 5.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.444 HG22 HD22 ' A' ' 98' ' ' LEU . 5.6 m -67.15 -14.91 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.146 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.601 HD23 ' HB1' ' A' ' 73' ' ' ALA . 2.0 mm? -84.39 -27.84 27.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.43 HD21 ' HB3' ' A' ' 139' ' ' TYR . 13.9 mt -76.44 -178.59 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 101' ' ' ARG . 17.1 t -123.76 143.75 50.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -35.9 -39.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.89 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -73.51 -61.14 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 139' ' ' TYR . 37.0 mt-30 -51.23 -59.39 4.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -40.52 -61.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 85.1 m -45.31 -60.98 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -45.49 -50.09 13.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.495 HD12 ' CD2' ' A' ' 139' ' ' TYR . 10.1 tt -52.36 -51.93 56.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -55.71 -64.0 0.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 78.2 m -39.67 -48.16 2.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 111' ' ' LEU . 15.0 m-20 -65.88 -55.88 14.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.844 HD13 HG23 ' A' ' 132' ' ' VAL . 29.5 tp -34.5 -56.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 93.9 m -55.92 -50.91 69.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -50.33 -57.07 8.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 113' ' ' ALA . 2.8 t80 -34.39 -47.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' A' ' 128' ' ' ALA . 15.3 mt -70.42 -54.8 10.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -46.78 -22.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.566 ' HG3' ' CD2' ' A' ' 118' ' ' HIS . 0.2 OUTLIER -81.69 -65.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.566 ' CD2' ' HG3' ' A' ' 117' ' ' LYS . 68.7 m-70 -87.26 -60.74 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.2 t -77.51 98.72 5.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -141.16 122.75 15.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 74.37 28.66 63.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -143.25 -176.25 4.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.66 ' O ' HG23 ' A' ' 123' ' ' VAL . 27.7 m -116.72 94.38 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 3.9 m -142.5 105.11 4.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 34.0 mm -95.82 -51.97 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 127' ' ' ASN . 54.9 mt -41.8 -55.74 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 126' ' ' LEU . 5.5 m120 -37.53 -45.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.455 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -61.48 -60.92 2.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 69.4 p -45.42 -41.8 9.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -62.98 -57.52 10.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.517 ' CE3' ' O ' ' A' ' 131' ' ' TRP . 16.5 t90 -52.35 -16.63 0.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.844 HG23 HD13 ' A' ' 111' ' ' LEU . 20.0 t -90.78 -46.17 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.505 ' O ' ' NE ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -59.22 -17.76 30.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -94.4 -47.22 6.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.443 ' O ' ' C ' ' A' ' 136' ' ' ALA . 3.7 m-70 -72.66 -53.05 12.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.565 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -34.06 -65.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.4 p -38.96 -45.68 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.806 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -62.8 -41.91 99.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.495 ' CD2' HD12 ' A' ' 107' ' ' LEU . 40.9 m-85 -60.95 -48.05 83.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.963 0.411 . . . . 0.0 110.892 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.457 HG21 HG11 ' A' ' 67' ' ' VAL . 46.7 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.177 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.808 0.337 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -42.32 -42.23 3.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.27 -48.13 79.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -66.01 -39.61 90.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.02 -50.89 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -74.01 -46.71 41.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.441 HD13 ' HG3' ' A' ' 42' ' ' LYS . 44.5 tp -53.11 -64.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.96 -52.85 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -54.14 -53.03 58.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.565 HD21 HG11 ' A' ' 57' ' ' VAL . 86.2 mt -55.0 -51.84 65.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' A' ' 18' ' ' ASP . 7.2 t0 -55.55 -48.33 74.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' LEU . 4.4 tt -56.41 -64.14 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 19' ' ' LEU . 29.0 mt -35.41 -52.58 0.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.94 -46.96 5.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.091 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 93.4 p -67.57 -44.33 78.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.712 ' HE2' HD21 ' A' ' 126' ' ' LEU . 41.4 mmm -57.16 -37.67 72.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.571 0.7 . . . . 0.0 110.896 -179.934 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.836 0.35 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -104.8 -39.31 6.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.501 HD23 ' C ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -141.01 144.81 35.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.437 HD13 ' ND2' ' A' ' 62' ' ' ASN . 5.3 mp -142.61 119.99 6.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.444 HG22 ' HB2' ' A' ' 59' ' ' PHE . 68.3 t -96.49 95.51 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -63.35 -51.2 66.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.43 ' OD2' ' HB3' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -71.93 117.24 13.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -110.22 -35.71 6.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.4 tp -54.59 -66.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.43 ' HB3' ' OD2' ' A' ' 34' ' ' ASP . . . -38.88 -46.36 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.6 t -67.21 -47.67 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.34 -51.3 62.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -64.53 -51.1 64.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 29.2 tp -46.6 -55.6 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.441 ' HG3' HD13 ' A' ' 14' ' ' LEU . 10.4 mtpp -60.88 -49.0 79.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -52.89 -38.35 61.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.0 m -59.16 -57.85 11.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.7 mt -47.26 -54.81 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.926 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.925 0.393 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.535 ' HB3' HG23 ' A' ' 80' ' ' ILE . 42.3 mttm -81.84 133.06 35.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.565 HG11 HD21 ' A' ' 17' ' ' LEU . 98.9 t -61.5 108.76 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.469 ' HE1' ' HB1' ' A' ' 78' ' ' ALA . 13.8 t80 -109.32 125.08 51.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.444 ' HB2' HG22 ' A' ' 32' ' ' VAL . 7.1 p90 -153.36 118.61 5.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.4 m -90.28 141.35 28.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.4 mt -117.28 125.06 73.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.437 ' ND2' HD13 ' A' ' 31' ' ' ILE . 83.2 m-20 -98.84 114.36 26.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 51.1 mtp -115.74 129.39 56.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -97.09 122.6 40.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 133' ' ' ARG . 1.6 mt -145.46 159.3 43.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.32 128.59 35.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.552 HG21 HD13 ' A' ' 98' ' ' LEU . 30.6 m -103.74 -48.59 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.543 ' N ' HG23 ' A' ' 67' ' ' VAL . 1.3 t -174.67 175.98 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' LYS . 3.7 m-20 47.4 48.28 16.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 40.27 26.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' ASP . 19.6 mtmm -112.47 165.52 12.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.7 mtp -124.3 -174.29 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.592 ' HB2' HD11 ' A' ' 98' ' ' LEU . . . -165.83 170.22 14.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 54.5 mtp -106.27 123.77 48.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.558 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 10.3 m-85 -101.07 105.07 16.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.808 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.6 m -82.23 120.09 24.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.463 ' HG ' HG22 ' A' ' 94' ' ' VAL . 5.4 mp -113.79 93.32 4.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.469 ' HB1' ' HE1' ' A' ' 58' ' ' TYR . . . -74.34 95.39 2.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.426 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 36.5 t -93.93 128.41 40.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.535 HG23 ' HB3' ' A' ' 56' ' ' LYS . 75.0 mt -128.43 109.15 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.687 HD23 ' HB3' ' A' ' 90' ' ' PRO . 16.1 mt -82.55 119.77 75.33 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.622 0.725 . . . . 0.0 110.911 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -173.36 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.739 2.292 . . . . 0.0 112.328 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -89.74 3.9 51.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.754 ' HB2' HG22 ' A' ' 88' ' ' VAL . 13.7 mmtp -100.4 -47.24 4.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.95 ' CE2' HG12 ' A' ' 123' ' ' VAL . 1.2 t80 -27.46 141.26 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.655 0.741 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.72 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.6 Cg_endo -69.74 -7.12 9.76 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.362 -0.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.456 ' HB3' ' HB3' ' A' ' 84' ' ' LYS . . . -35.42 -76.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.754 HG22 ' HB2' ' A' ' 84' ' ' LYS . 2.8 m -101.99 130.6 51.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 115' ' ' LEU . 0.9 OUTLIER -45.12 158.07 0.31 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.727 . . . . 0.0 110.881 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.687 ' HB3' HD23 ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.82 -165.06 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.667 2.244 . . . . 0.0 112.296 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -133.12 67.91 1.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.2 mt -75.75 122.17 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.5 m -112.3 100.07 8.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.463 HG22 ' HG ' ' A' ' 77' ' ' LEU . 39.0 t -73.38 130.02 35.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 78.2 mtt-85 -138.12 141.45 40.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.513 ' HB3' HD12 ' A' ' 99' ' ' LEU . 38.1 t -152.65 139.0 18.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.4 t -61.99 -37.91 79.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.592 HD11 ' HB2' ' A' ' 73' ' ' ALA . 15.2 mt -67.34 -52.61 38.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.513 HD12 ' HB3' ' A' ' 96' ' ' SER . 41.8 mt -53.85 169.2 0.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.2 t -111.92 138.76 48.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.1 ttt-85 -38.12 -40.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.6 m -73.89 -54.93 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 104' ' ' GLN . 14.9 mm100 -54.74 -64.76 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 103' ' ' GLN . 4.5 tp60 -34.92 -49.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 49.2 m -45.5 -63.37 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.15 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -42.93 -47.33 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.785 HD12 ' CD2' ' A' ' 139' ' ' TYR . 9.1 tt -57.11 -39.6 75.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -64.27 -65.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 91.6 m -41.86 -38.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -76.7 -47.38 22.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.462 ' HB2' ' CZ3' ' A' ' 131' ' ' TRP . 8.7 tp -48.36 -59.62 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 113' ' ' ALA . 12.0 m -54.5 -61.28 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 112' ' ' THR . . . -35.19 -57.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.061 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.432 ' CE2' ' CE1' ' A' ' 118' ' ' HIS . 12.6 t80 -38.2 -49.49 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.734 HD11 ' HB2' ' A' ' 128' ' ' ALA . 17.3 mt -66.91 -54.67 19.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -45.88 -33.26 3.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.472 ' N ' ' HE2' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -87.9 -64.08 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.432 ' CE1' ' CE2' ' A' ' 114' ' ' PHE . 11.3 m-70 -52.45 -66.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 3.6 t -106.69 111.82 24.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -133.75 85.28 2.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 144.6 -26.31 1.96 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.5 -176.65 2.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.825 0.345 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.95 HG12 ' CE2' ' A' ' 85' ' ' TYR . 2.8 m -102.21 111.12 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.497 ' SG ' ' ND2' ' A' ' 127' ' ' ASN . 1.8 t -134.86 88.52 2.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 40.7 mm -89.4 -45.02 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.712 HD21 ' HE2' ' A' ' 23' ' ' MET . 11.9 mt -51.65 -59.71 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.497 ' ND2' ' SG ' ' A' ' 124' ' ' CYS . 2.1 m-80 -35.9 -37.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.734 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -67.58 -50.39 58.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 126' ' ' LEU . 74.7 p -60.87 -33.08 72.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -78.66 -17.23 56.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.688 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 11.2 t90 -89.64 -18.07 27.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 134' ' ' GLU . 17.8 t -89.68 -56.64 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.146 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.491 ' HA ' HD13 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -40.7 -24.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 132' ' ' VAL . 5.3 tm-20 -94.57 -58.07 2.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.688 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 18.9 m-70 -56.99 -52.73 64.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.558 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -33.89 -66.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 136' ' ' ALA . 84.3 p -36.02 -45.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -59.3 -57.46 19.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.785 ' CD2' HD12 ' A' ' 107' ' ' LEU . 81.1 m-85 -55.72 -52.16 64.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.945 0.403 . . . . 0.0 110.885 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.529 HG11 ' HB ' ' A' ' 67' ' ' VAL . 58.7 t . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.759 0.314 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -40.34 -46.33 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.66 -42.7 62.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -64.01 -50.04 70.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -39.88 -62.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.067 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -51.01 -54.6 23.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 15' ' ' ALA . 26.9 tp -52.12 -66.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.71 -46.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.586 ' OE1' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -58.34 -52.27 66.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.5 mt -47.77 -53.66 14.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -49.95 -48.46 51.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 tt -51.49 -55.02 21.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.586 HD12 ' OE1' ' A' ' 16' ' ' GLU . 70.2 mt -53.51 -65.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -35.34 -36.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.2 m -78.58 -42.36 29.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 20' ' ' LEU . 60.6 mmm -63.23 -42.2 99.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.427 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 4.9 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.684 0.754 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 . . . . . 0 CA--C 1.526 0.052 0 CA-C-O 120.836 0.35 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -44.85 -40.11 5.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.517 ' C ' HD12 ' A' ' 31' ' ' ILE . 1.4 tt -144.6 145.14 31.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.517 HD12 ' C ' ' A' ' 30' ' ' LEU . 4.7 mp -142.38 118.25 5.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.56 HG22 ' CB ' ' A' ' 59' ' ' PHE . 67.2 t -98.9 96.42 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -66.14 -54.67 22.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -73.4 91.24 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -83.28 -45.62 13.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.09 -50.91 34.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.16 -42.86 3.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 81.3 t -70.67 -57.68 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -43.26 -48.03 6.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.28 -43.58 92.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.8 tp -58.68 -40.94 84.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -66.67 -62.07 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -43.14 -40.89 3.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.8 m -57.17 -54.91 41.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.2 mt -64.76 -50.02 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.938 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.961 0.41 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.451 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 20.8 mttp -84.81 127.78 34.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.937 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.3 t -65.98 112.12 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -115.57 127.88 55.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.56 ' CB ' HG22 ' A' ' 32' ' ' VAL . 37.5 p90 -155.75 118.6 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.3 m -89.8 143.96 26.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 75.3 mt -117.05 128.84 74.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.441 ' HB3' ' CE ' ' A' ' 74' ' ' MET . 82.6 m-20 -100.46 113.71 26.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.3 mtp -117.33 111.51 19.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -84.35 107.62 16.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.664 HD13 ' HA ' ' A' ' 133' ' ' ARG . 1.7 mt -134.47 162.44 32.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -73.76 141.38 46.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.617 HG11 HD12 ' A' ' 98' ' ' LEU . 29.9 m -116.07 -53.07 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.613 ' N ' HG23 ' A' ' 67' ' ' VAL . 1.8 m -175.34 175.7 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.508 ' OD1' ' CG ' ' A' ' 71' ' ' LYS . 1.1 p30 52.08 25.03 2.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 62.01 28.17 17.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.508 ' CG ' ' OD1' ' A' ' 69' ' ' ASP . 0.7 OUTLIER -116.27 156.52 26.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.9 mtp -112.11 164.96 12.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.732 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -158.03 155.92 30.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.441 ' CE ' ' HB3' ' A' ' 62' ' ' ASN . 51.5 ttm -84.76 144.45 28.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -119.25 114.18 22.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.5 m -85.03 118.78 24.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.528 ' HG ' HG22 ' A' ' 94' ' ' VAL . 5.2 mp -114.27 92.9 4.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.33 95.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 16.2 m -96.85 113.34 24.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 65.6 mt -115.4 110.47 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.449 HD23 ' HB3' ' A' ' 90' ' ' PRO . 34.2 mt -82.84 118.34 71.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.606 0.717 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -175.38 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.629 2.219 . . . . 0.0 112.314 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.451 ' CE2' ' HG3' ' A' ' 56' ' ' LYS . 72.8 m-85 -95.56 26.42 3.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.782 ' HB2' HG22 ' A' ' 88' ' ' VAL . 8.1 mttt -125.21 -41.51 2.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.675 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 3.0 t80 -30.76 141.35 0.13 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.696 0.76 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.675 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.5 Cg_endo -69.77 -8.75 10.7 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.353 -0.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.492 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -30.79 -73.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.782 HG22 ' HB2' ' A' ' 84' ' ' LYS . 10.0 m -109.58 129.0 65.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.542 HD13 ' OE1' ' A' ' 116' ' ' GLN . 7.4 mp -46.8 156.58 0.52 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.606 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.2 Cg_endo -69.71 -176.75 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.364 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -116.88 58.56 0.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.7 mt -66.24 124.64 21.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.3 m -121.5 101.95 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.528 HG22 ' HG ' ' A' ' 77' ' ' LEU . 50.4 t -75.42 115.07 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.164 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -124.47 132.57 53.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.522 ' HB3' HD12 ' A' ' 99' ' ' LEU . 33.0 t -144.67 112.08 6.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' SER . 27.1 m -35.06 -35.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.072 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.732 HD11 ' CB ' ' A' ' 73' ' ' ALA . 27.7 mt -62.04 -56.43 19.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.623 HD21 HG13 ' A' ' 140' ' ' VAL . 5.8 mt -70.96 144.71 50.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.467 ' H ' ' CG ' ' A' ' 103' ' ' GLN . 11.4 t -97.1 150.53 20.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 101' ' ' ARG . 20.9 mtm105 -42.76 -23.75 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 100' ' ' SER . 1.9 t -71.92 -54.8 8.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.467 ' CG ' ' H ' ' A' ' 100' ' ' SER . 0.7 OUTLIER -77.98 -47.2 19.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.437 ' HA ' ' NE2' ' A' ' 104' ' ' GLN . 6.3 tp60 -43.15 -62.57 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.4 t -43.55 -36.6 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -61.89 -49.91 74.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.534 ' C ' HD23 ' A' ' 107' ' ' LEU . 5.5 tt -61.04 -34.5 74.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -69.72 -58.09 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.4 m -43.43 -25.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 111' ' ' LEU . 47.3 t0 -93.69 -54.95 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.561 HD11 ' HB1' ' A' ' 128' ' ' ALA . 12.8 tp -36.12 -44.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.7 m -69.44 -48.55 60.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.01 -41.23 59.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.401 ' CE1' ' CG ' ' A' ' 118' ' ' HIS . 4.1 t80 -47.4 -57.37 5.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.535 ' HB2' HD23 ' A' ' 89' ' ' LEU . 18.3 mt -63.23 -48.84 76.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.542 ' OE1' HD13 ' A' ' 89' ' ' LEU . 15.7 mm-40 -39.13 -38.15 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -93.92 -62.5 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.401 ' CG ' ' CE1' ' A' ' 114' ' ' PHE . 27.3 m-70 -52.14 -60.0 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.793 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 37.1 t -117.5 106.14 12.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -130.19 84.5 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 124.9 30.93 0.91 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.451 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -156.54 178.55 10.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.688 ' O ' HG23 ' A' ' 123' ' ' VAL . 35.0 m -100.6 98.4 6.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.63 95.84 3.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.836 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 49.6 mm -96.06 -38.86 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 128' ' ' ALA . 9.1 mt -58.6 -57.71 11.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 126' ' ' LEU . 3.8 m-20 -35.15 -32.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.561 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -69.45 -58.86 3.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 72.3 p -51.29 -38.96 55.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.53 -21.66 64.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.699 ' CZ2' ' CE1' ' A' ' 135' ' ' HIS . 34.5 t90 -87.45 -20.2 26.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 134' ' ' GLU . 81.5 t -82.37 -62.3 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.664 ' HA ' HD13 ' A' ' 65' ' ' LEU . 33.8 ptt180 -37.65 -28.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 132' ' ' VAL . 41.1 tt0 -87.13 -64.19 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.699 ' CE1' ' CZ2' ' A' ' 131' ' ' TRP . 8.2 m-70 -55.41 -52.74 62.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.521 ' O ' HG22 ' A' ' 140' ' ' VAL . . . -38.06 -66.77 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.422 ' HA ' HG23 ' A' ' 140' ' ' VAL . 91.3 p -46.2 -29.65 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -70.9 -43.51 58.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.517 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -67.19 -31.36 71.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.941 0.4 . . . . 0.0 110.935 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.623 HG13 HD21 ' A' ' 99' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.114 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.784 0.326 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -65.75 -46.18 79.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.77 -38.96 76.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 12' ' ' ALA . 37.5 mt-10 -70.98 -51.9 22.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . -36.31 -65.54 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -49.87 -52.4 33.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.62 HD22 HD12 ' A' ' 45' ' ' ILE . 47.4 tp -49.24 -64.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -36.22 -45.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -63.16 -59.31 4.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.465 HD21 HD12 ' A' ' 81' ' ' LEU . 19.5 mt -48.35 -53.37 17.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -50.06 -41.19 47.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.8 tp -67.68 -51.33 50.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.9 mt -50.97 -60.3 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -37.13 -39.92 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t -79.92 -43.23 22.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 95.9 mmm -52.71 -16.08 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 110.907 -179.922 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.6 p30 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.815 0.34 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -102.09 -52.77 3.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.48 HD23 ' C ' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -125.28 140.01 53.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.2 mp -134.4 118.02 25.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 35' ' ' GLN . 55.8 t -91.41 94.31 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -49.15 -59.82 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.458 ' OD2' ' HB2' ' A' ' 37' ' ' ALA . 9.4 t0 -83.04 48.21 1.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.428 ' N ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -41.99 -42.94 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 37' ' ' ALA . 5.2 tp -52.19 -47.28 65.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.458 ' HB2' ' OD2' ' A' ' 34' ' ' ASP . . . -37.28 -53.82 1.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.583 HG12 ' HD2' ' A' ' 42' ' ' LYS . 58.6 t -57.74 -45.78 86.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.092 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.2 -51.08 57.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -58.39 -55.21 37.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.6 tp -49.74 -40.26 40.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.583 ' HD2' HG12 ' A' ' 38' ' ' VAL . 31.8 mttt -64.38 -47.54 78.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -62.66 -35.93 81.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 7.5 m -60.17 -48.68 80.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.62 HD12 HD22 ' A' ' 14' ' ' LEU . 58.1 mt -61.72 -60.24 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.919 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.966 0.412 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -82.89 135.89 34.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.0 t -66.7 99.4 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.092 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.422 ' HE1' ' HB1' ' A' ' 78' ' ' ALA . 21.5 t80 -105.56 119.37 38.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -141.01 134.94 30.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 54.7 m -106.29 132.51 52.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 58.3 mt -106.43 130.35 58.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.404 ' HB3' ' CE ' ' A' ' 74' ' ' MET . 68.2 m-80 -101.66 114.96 29.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 70.3 mtp -120.44 123.97 44.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 64' ' ' ASN . 0.6 OUTLIER -98.91 114.29 26.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.647 HD13 ' HA ' ' A' ' 133' ' ' ARG . 0.5 OUTLIER -128.87 145.79 51.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.03 127.25 32.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.612 HG23 ' N ' ' A' ' 68' ' ' SER . 33.6 m -99.94 -50.88 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.612 ' N ' HG23 ' A' ' 67' ' ' VAL . 1.8 m -173.13 174.88 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 47.5 50.54 14.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 41.02 30.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -123.84 162.8 22.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.427 ' HE2' ' HB2' ' A' ' 64' ' ' ASN . 5.6 ptm -134.13 171.37 14.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -138.78 165.54 26.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.404 ' CE ' ' HB3' ' A' ' 62' ' ' ASN . 3.2 tpt -93.94 118.73 31.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -105.15 119.4 38.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.8 m -98.63 128.2 44.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.571 HD21 HG21 ' A' ' 132' ' ' VAL . 6.7 mp -116.18 93.54 4.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.422 ' HB1' ' HE1' ' A' ' 58' ' ' TYR . . . -74.16 101.12 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.3 t -109.9 124.39 51.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 67.0 mt -113.49 133.04 60.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.465 HD12 HD21 ' A' ' 17' ' ' LEU . 54.2 mt -104.42 107.98 59.25 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.594 0.712 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -177.49 1.9 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.723 2.282 . . . . 0.0 112.364 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -92.67 26.85 2.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.615 ' HD2' HG11 ' A' ' 88' ' ' VAL . 7.4 mttt -119.63 -47.15 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.694 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.1 t80 -28.25 140.43 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.684 0.754 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.694 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.3 Cg_endo -69.75 -8.01 10.27 Favored 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.288 -0.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.48 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -33.48 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.089 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.615 HG11 ' HD2' ' A' ' 84' ' ' LYS . 2.3 m -104.36 129.96 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.1 mt -52.99 154.09 5.51 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.62 0.724 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.631 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.7 Cg_endo -69.78 176.24 7.05 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 91' ' ' GLU . 1.0 OUTLIER -112.18 83.81 1.86 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 36.6 mt -89.35 124.55 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.7 m -123.78 104.26 8.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.475 ' O ' ' CG ' ' A' ' 104' ' ' GLN . 21.9 t -75.45 126.21 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -137.22 140.56 41.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.5 t -157.54 137.34 12.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.582 HG23 ' CD2' ' A' ' 98' ' ' LEU . 27.7 m -59.32 -31.39 46.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.582 ' CD2' HG23 ' A' ' 97' ' ' VAL . 1.5 mm? -66.04 -55.48 16.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.41 154.68 31.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.8 t -88.06 155.8 19.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -48.23 -39.24 20.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.0 m -77.99 -55.67 5.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 104' ' ' GLN . 51.3 mt-30 -50.15 -62.99 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.489 ' O ' ' ND2' ' A' ' 108' ' ' ASN . 4.3 tp60 -34.7 -53.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.417 ' HA ' ' OD1' ' A' ' 108' ' ' ASN . 92.8 m -51.6 -58.5 6.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -42.13 -39.13 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.502 HD23 ' N ' ' A' ' 108' ' ' ASN . 10.3 tt -64.53 -73.13 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.502 ' N ' HD23 ' A' ' 107' ' ' LEU . 0.9 OUTLIER -45.2 -41.09 7.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.3 m -48.94 -37.1 19.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -87.81 -36.93 16.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.765 HD11 ' HB1' ' A' ' 128' ' ' ALA . 7.0 tp -48.21 -44.07 32.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 113' ' ' ALA . 91.5 m -67.48 -60.02 2.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 112' ' ' THR . . . -36.63 -45.96 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -44.59 -54.74 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 116' ' ' GLN . 11.4 mt -64.08 -50.32 68.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 115' ' ' LEU . 90.3 mt-30 -35.47 -38.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.02 -61.65 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -59.12 -62.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 12.7 m -100.69 104.61 15.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -131.23 97.64 4.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 93.77 33.5 7.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.439 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.79 -179.22 6.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.571 ' O ' HG23 ' A' ' 123' ' ' VAL . 33.3 m -113.19 112.65 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.8 m -162.06 105.16 1.17 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 46.5 mm -95.4 -50.61 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 127' ' ' ASN . 20.8 mt -44.62 -55.39 5.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 126' ' ' LEU . 16.5 m-80 -34.44 -40.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.765 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -69.31 -52.14 30.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 67.2 p -53.95 -27.47 31.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.117 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -78.06 -23.81 47.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.599 ' CE3' ' O ' ' A' ' 131' ' ' TRP . 32.8 t90 -85.8 -12.76 50.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.651 ' CG2' HD22 ' A' ' 111' ' ' LEU . 71.1 t -92.33 -56.3 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.174 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.647 ' HA ' HD13 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -48.61 -19.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -94.43 -64.42 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 138' ' ' GLY . 5.9 m-70 -55.33 -47.82 75.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -34.7 -70.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.438 ' HA ' HG23 ' A' ' 140' ' ' VAL . 86.2 p -39.95 -34.95 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.816 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -60.78 -54.07 40.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -57.94 -45.78 86.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.933 0.397 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.438 HG23 ' HA ' ' A' ' 137' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.775 0.321 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 12' ' ' ALA . 43.2 mt-30 -44.16 -67.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 9' ' ' GLN . . . -37.99 -39.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -75.19 -37.93 61.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 9' ' ' GLN . . . -48.56 -50.42 32.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -65.21 -62.1 1.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.546 ' HA ' HD12 ' A' ' 17' ' ' LEU . 46.9 tp -40.97 -62.91 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.05 -52.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -57.16 -51.4 69.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 14' ' ' LEU . 41.1 mt -51.02 -64.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -36.31 -49.36 0.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 tt -55.12 -60.53 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' MET . 22.4 mt -42.44 -64.7 0.56 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.41 -41.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 m -73.99 -44.38 54.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 20' ' ' LEU . 39.7 mmm -60.34 -39.11 85.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 0.0 110.856 -179.951 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.438 ' HA ' HD11 ' A' ' 31' ' ' ILE . 16.4 t-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.767 0.317 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -38.65 -47.79 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.592 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -142.24 128.84 20.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.468 ' CD1' ' ND2' ' A' ' 62' ' ' ASN . 5.3 mp -124.7 119.1 55.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.1 t -96.05 105.98 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.072 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.508 ' HB2' ' CD2' ' A' ' 58' ' ' TYR . 55.8 m-80 -73.46 -48.15 35.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -84.77 88.73 7.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -76.6 -41.78 44.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.98 -54.12 39.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -41.81 -61.94 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.424 ' CG1' ' HE3' ' A' ' 42' ' ' LYS . 93.9 t -49.52 -57.09 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.35 -40.73 50.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.1 -41.95 98.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 tp -54.22 -51.66 63.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.424 ' HE3' ' CG1' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -56.59 -51.38 68.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.813 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -57.65 -42.93 84.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 3.5 t -52.3 -56.53 14.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.0 mt -50.78 -58.72 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.936 0.398 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -79.8 145.18 32.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.4 t -73.64 97.84 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.508 ' CD2' ' HB2' ' A' ' 33' ' ' ASN . 24.3 t80 -100.5 123.32 44.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -150.41 127.34 11.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.1 m -94.2 146.13 24.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.0 mt -122.24 124.57 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.468 ' ND2' ' CD1' ' A' ' 31' ' ' ILE . 72.0 m-80 -97.18 123.49 40.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 26.6 mtm -129.88 116.04 18.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -83.9 134.21 34.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.82 152.48 41.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -75.54 77.58 2.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.727 HG13 ' H ' ' A' ' 68' ' ' SER . 0.4 OUTLIER -51.03 -71.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.727 ' H ' HG13 ' A' ' 67' ' ' VAL . 6.1 t -174.09 -179.62 1.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 56.91 50.18 12.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 42.98 30.13 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -137.19 173.31 11.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.547 ' HA ' HG12 ' A' ' 67' ' ' VAL . 3.6 ptm -132.45 156.99 45.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.725 ' HB2' HD11 ' A' ' 98' ' ' LEU . . . -126.58 171.19 11.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 68.6 mtp -112.95 131.43 55.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.916 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 10.7 m-85 -110.3 116.55 31.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 72.8 p -88.9 113.74 24.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.479 HD11 HG11 ' A' ' 132' ' ' VAL . 5.0 mp -102.23 96.01 6.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.84 93.63 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.061 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 60.1 m -91.19 140.36 29.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 78.3 mt -140.53 115.52 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.636 HD21 HD11 ' A' ' 125' ' ' ILE . 76.2 mt -88.28 119.84 70.36 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.627 0.727 . . . . 0.0 110.921 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.492 ' HG3' HG23 ' A' ' 88' ' ' VAL . 54.0 Cg_endo -69.73 -175.27 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.261 . . . . 0.0 112.361 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -99.06 27.34 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.57 ' HB2' HG22 ' A' ' 88' ' ' VAL . 1.8 mtpp -128.65 -39.28 1.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.687 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.6 t80 -28.32 141.39 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.659 0.742 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.687 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.7 Cg_endo -69.79 -8.89 10.8 Favored 'Cis proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.356 -0.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.54 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -30.87 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.57 HG22 ' HB2' ' A' ' 84' ' ' LYS . 4.3 m -104.43 127.21 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.439 HD11 ' HA ' ' A' ' 116' ' ' GLN . 28.1 mt -46.59 158.67 0.39 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.595 0.712 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.612 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.1 Cg_endo -69.73 178.71 4.28 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.642 2.228 . . . . 0.0 112.343 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -119.78 68.92 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 69.8 mt -75.9 131.63 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.44 HG22 ' HD3' ' A' ' 95' ' ' ARG . 30.6 m -125.01 98.08 5.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.538 ' HB ' HD22 ' A' ' 107' ' ' LEU . 4.8 t -73.51 132.07 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.44 ' HD3' HG22 ' A' ' 93' ' ' THR . 13.7 mmm180 -130.63 155.19 46.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.529 ' HB3' HD12 ' A' ' 99' ' ' LEU . 34.8 t -171.54 124.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.401 ' CG1' ' N ' ' A' ' 98' ' ' LEU . 1.9 p -56.65 -37.97 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.091 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.725 HD11 ' HB2' ' A' ' 73' ' ' ALA . 22.3 mt -60.51 -47.22 87.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' A' ' 96' ' ' SER . 19.7 mt -59.97 153.54 21.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.5 m -94.3 174.87 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -58.22 -42.74 86.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.1 m -75.62 -61.27 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -42.33 -65.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -39.8 -53.05 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 28.9 m -49.39 -63.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -41.0 -51.97 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.569 ' C ' HD23 ' A' ' 107' ' ' LEU . 8.1 tt -52.28 -58.56 6.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -42.09 -49.34 4.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 54.9 m -63.45 -47.97 79.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 111' ' ' LEU . 6.7 m-20 -56.81 -59.88 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.577 HD13 HG23 ' A' ' 132' ' ' VAL . 18.2 tp -36.44 -57.49 0.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 60.3 m -51.54 -53.86 33.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -41.6 -57.66 2.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.537 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 22.4 t80 -38.92 -57.01 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 117' ' ' LYS . 49.1 mt -61.47 -53.81 51.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.439 ' HA ' HD11 ' A' ' 89' ' ' LEU . 54.9 mt-30 -36.06 -32.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 115' ' ' LEU . 9.6 ttmt -99.08 -64.23 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -51.8 -51.46 56.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.803 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 8.6 t -120.77 105.55 10.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -130.73 78.31 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 119.87 27.44 2.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -147.05 175.75 10.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.564 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 34.5 m -105.27 115.15 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 5.2 m -160.92 105.76 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.636 HD11 HD21 ' A' ' 81' ' ' LEU . 19.5 mm -93.85 -44.16 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 22.6 mt -52.8 -47.73 67.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.537 ' OD1' ' CZ ' ' A' ' 114' ' ' PHE . 8.5 t-20 -44.61 -28.95 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.488 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -82.88 -45.31 14.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 59.5 p -61.25 -27.12 68.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -81.34 -17.99 47.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.577 ' CE3' ' O ' ' A' ' 131' ' ' TRP . 8.5 t90 -93.26 -14.68 26.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.577 HG23 HD13 ' A' ' 111' ' ' LEU . 21.1 t -94.01 -57.49 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 132' ' ' VAL . 6.6 ptm180 -36.74 -29.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 132' ' ' VAL . 32.7 tt0 -90.67 -54.7 3.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.453 ' O ' ' C ' ' A' ' 136' ' ' ALA . 23.4 m-70 -62.92 -55.55 24.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.916 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -33.89 -68.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.065 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.3 m -51.44 -38.26 52.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -55.64 -47.97 74.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.505 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.568 ' CD2' HD12 ' A' ' 107' ' ' LEU . 68.8 m-85 -56.96 -53.59 56.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.917 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.48 HG11 ' CG2' ' A' ' 67' ' ' VAL . 89.5 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.762 0.315 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -42.94 -58.57 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.41 -40.44 1.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -75.72 -41.03 54.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.74 -48.97 10.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -68.81 -61.4 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.87 ' HA ' HD12 ' A' ' 17' ' ' LEU . 19.0 tp -44.96 -62.53 1.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.3 -62.82 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.061 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -49.8 -55.25 14.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.87 HD12 ' HA ' ' A' ' 14' ' ' LEU . 20.0 mt -43.78 -54.17 5.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -53.49 -41.67 66.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.434 HD11 ' SD ' ' A' ' 23' ' ' MET . 10.7 tp -65.94 -50.98 62.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.7 mt -46.48 -52.32 13.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.05 -45.81 1.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.043 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -79.7 -35.79 38.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.434 ' SD ' HD11 ' A' ' 19' ' ' LEU . 82.4 mmm -52.51 -34.38 49.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.617 0.722 . . . . 0.0 110.902 -179.92 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.819 0.342 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -86.58 -69.25 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.531 HD21 HG23 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -103.59 135.86 44.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.37 120.26 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.531 HG23 HD21 ' A' ' 30' ' ' LEU . 86.5 t -100.0 94.34 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -62.9 -45.81 90.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -85.23 58.61 5.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -56.0 -42.26 76.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.966 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.5 tp -55.11 -49.57 71.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.469 ' HB1' ' O ' ' A' ' 55' ' ' SER . . . -42.45 -53.35 4.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.49 HG12 ' NZ ' ' A' ' 42' ' ' LYS . 25.9 t -61.41 -41.12 88.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.6 -45.84 84.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -60.06 -38.92 84.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.601 HD23 ' HB2' ' A' ' 14' ' ' LEU . 14.7 tp -52.83 -48.9 66.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.49 ' NZ ' HG12 ' A' ' 38' ' ' VAL . 0.8 OUTLIER -54.08 -58.73 6.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.827 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -42.42 -47.51 5.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 74.5 m -54.31 -49.96 68.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 24.2 mt -61.58 -55.63 23.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.469 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 19.1 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.885 0.374 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.481 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 29.0 mttt -63.8 128.86 37.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.4 t -56.0 97.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -103.39 123.15 46.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.402 ' CB ' HG22 ' A' ' 32' ' ' VAL . 25.0 p90 -149.69 132.08 15.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.4 m -100.38 140.4 34.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.2 mt -113.49 129.58 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.486 ' C ' ' HE3' ' A' ' 74' ' ' MET . 77.2 m-20 -106.33 114.07 27.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.49 ' N ' ' HE3' ' A' ' 74' ' ' MET . 26.6 mtp -117.64 114.16 22.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -80.55 110.84 16.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.666 HD13 ' HA ' ' A' ' 133' ' ' ARG . 0.4 OUTLIER -138.57 162.44 34.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -73.01 147.82 44.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.928 ' HB ' HG11 ' A' ' 140' ' ' VAL . 23.3 m -125.23 -50.11 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.553 ' N ' HG23 ' A' ' 67' ' ' VAL . 27.3 p -167.63 176.97 6.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 70' ' ' GLU . 69.7 m-20 37.65 53.83 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 69' ' ' ASP . 27.8 tt0 35.01 43.24 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -119.32 167.58 11.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 17.2 mtp -122.2 158.5 29.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.599 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -155.47 163.47 39.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.49 ' HE3' ' N ' ' A' ' 63' ' ' MET . 1.9 tpt -95.95 144.5 26.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -121.54 109.8 15.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.3 m -83.72 119.66 25.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.504 ' HG ' HG22 ' A' ' 94' ' ' VAL . 5.1 mp -112.9 94.68 5.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.41 ' HB3' ' HB ' ' A' ' 93' ' ' THR . . . -73.0 96.4 2.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 53.5 t -102.28 127.7 49.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.481 ' CG2' ' HB3' ' A' ' 56' ' ' LYS . 85.6 mt -126.17 103.36 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.642 HD12 HD21 ' A' ' 17' ' ' LEU . 18.5 mt -74.03 120.64 82.35 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.639 0.733 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -170.8 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -92.75 -11.59 33.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.489 ' O ' ' C ' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -88.22 -39.35 14.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.75 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 3.7 t80 -30.48 142.42 0.1 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.644 0.735 . . . . 0.0 110.94 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.75 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.6 Cg_endo -69.77 -8.91 10.78 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.349 -0.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.491 ' C ' ' O ' ' A' ' 86' ' ' PRO . . . -29.11 -72.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.475 HG22 ' HD3' ' A' ' 84' ' ' LYS . 3.0 m -107.45 126.67 63.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.8 mt -44.46 158.0 0.29 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.627 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.2 Cg_endo -69.76 -172.92 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.663 2.242 . . . . 0.0 112.35 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -121.98 60.64 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.9 mt -65.29 132.31 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.41 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 85.3 m -125.93 98.42 5.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.559 ' CG2' HD22 ' A' ' 111' ' ' LEU . 20.7 t -73.36 134.21 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -143.08 158.13 43.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -171.77 132.51 0.72 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.4 m -56.42 -27.45 24.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.602 HD13 HG21 ' A' ' 67' ' ' VAL . 27.3 mt -67.12 -55.05 15.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.512 HD12 ' OE1' ' A' ' 104' ' ' GLN . 8.6 mt -64.66 167.5 7.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.95 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.2 m -106.33 171.26 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.408 ' C ' ' HD3' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -63.04 -14.35 47.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.9 m -94.48 -62.37 1.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -51.78 -56.15 15.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.512 ' OE1' HD12 ' A' ' 99' ' ' LEU . 18.8 tp60 -46.03 -44.54 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 92.5 m -59.18 -53.23 60.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -55.39 -40.16 71.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.615 HD12 ' CD2' ' A' ' 139' ' ' TYR . 8.1 tt -60.88 -43.99 97.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -63.65 -47.42 81.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 58.5 m -47.43 -38.31 13.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -81.91 -45.8 14.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.559 HD22 ' CG2' ' A' ' 94' ' ' VAL . 18.6 tp -45.09 -42.28 8.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 95.8 m -71.61 -47.58 53.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.56 -45.73 73.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.495 ' CD1' ' CD1' ' A' ' 131' ' ' TRP . 45.6 t80 -42.57 -67.34 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.664 HD11 ' HB2' ' A' ' 128' ' ' ALA . 15.5 mt -53.87 -55.92 22.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 115' ' ' LEU . 14.7 mm-40 -34.78 -37.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 115' ' ' LEU . 18.3 ttpt -97.98 -64.93 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -52.0 -60.78 2.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 8.0 m -127.62 113.41 16.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -150.36 113.47 4.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 130.89 -28.58 3.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.19 165.87 13.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.671 HG12 ' CE2' ' A' ' 85' ' ' TYR . 15.9 m -74.8 100.47 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 68.6 m -134.91 86.46 2.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.6 mm -90.07 -37.4 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.78 -30.2 71.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -59.94 -41.51 91.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.664 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -64.1 -53.6 47.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 61.0 p -51.31 -42.18 61.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.179 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -64.39 -22.91 67.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.609 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 20.7 t90 -85.7 -23.86 27.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.468 HG21 HD21 ' A' ' 77' ' ' LEU . 96.0 t -81.93 -59.24 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.666 ' HA ' HD13 ' A' ' 65' ' ' LEU . 7.3 ptt180 -40.28 -28.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 132' ' ' VAL . 4.6 tp10 -90.84 -64.25 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.609 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 5.4 m-70 -52.2 -53.73 39.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.98 -69.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 52.9 p -37.51 -40.54 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -63.09 -54.33 33.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.615 ' CD2' HD12 ' A' ' 107' ' ' LEU . 77.8 m-85 -55.78 -53.21 59.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.918 0.389 . . . . 0.0 110.945 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.928 HG11 ' HB ' ' A' ' 67' ' ' VAL . 59.8 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.808 0.337 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -42.03 -53.01 4.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.64 -50.47 60.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -61.86 -40.6 95.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -46.03 -42.64 13.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -80.43 -49.52 11.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 15' ' ' ALA . 18.2 tp -53.84 -62.34 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.88 -52.82 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -56.96 -58.97 5.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.3 mt -45.92 -58.79 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -46.87 -41.04 15.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.5 tp -69.61 -49.49 53.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' ALA . 32.9 mt -49.46 -60.02 3.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -35.41 -47.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.0 m -74.96 -45.3 43.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 86.0 mmm -46.01 -38.82 8.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.612 0.72 . . . . 0.0 110.873 -179.954 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.4 p30 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.743 0.306 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -102.41 -37.7 7.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.576 HD23 ' C ' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -144.63 146.36 32.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.4 mp -142.79 124.19 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.475 HG12 ' O ' ' A' ' 32' ' ' VAL . 23.5 t -98.64 95.48 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -65.71 -50.97 62.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -88.14 87.97 7.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.81 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -78.06 -41.41 35.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tp -43.45 -57.62 2.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -38.1 -50.85 1.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 79.7 t -66.69 -58.97 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.119 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -37.97 -53.39 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -60.47 -43.59 96.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.3 tp -48.18 -49.85 31.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.5 -44.91 96.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -56.42 -43.15 79.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.4 t -60.46 -52.48 65.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.0 mt -61.01 -54.26 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.929 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.968 0.413 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.479 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 6.3 mtmm -65.24 137.81 57.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.9 t -73.26 102.16 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -98.28 115.17 27.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 29.6 p90 -143.08 120.08 11.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.442 ' CG2' ' HB3' ' A' ' 76' ' ' SER . 25.7 m -91.25 138.68 31.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.143 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.2 mt -113.48 123.46 69.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -97.71 120.15 37.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 35.2 mtp -124.36 110.38 14.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -80.35 128.09 33.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 133' ' ' ARG . 0.8 OUTLIER -142.72 149.17 38.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.14 131.25 35.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 137' ' ' SER . 5.1 m -109.04 -43.52 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.8 p -175.07 173.74 2.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.817 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 71' ' ' LYS . 2.2 t70 49.1 50.37 18.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 38.55 28.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -114.63 -179.14 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.2 ptm -153.94 160.48 42.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.817 ' HB2' HD11 ' A' ' 98' ' ' LEU . . . -129.8 158.84 38.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 22.9 ttm -90.35 125.92 35.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.682 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 25.3 m-85 -108.3 105.88 15.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.442 ' HB3' ' CG2' ' A' ' 60' ' ' THR . 16.2 m -86.1 124.33 32.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.2 mp -112.46 94.15 4.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.409 ' HB3' ' HB ' ' A' ' 93' ' ' THR . . . -72.14 95.77 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 28.5 m -98.08 121.66 40.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.479 ' CG2' ' HB3' ' A' ' 56' ' ' LYS . 86.8 mt -125.96 119.25 54.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.438 HD23 ' HB3' ' A' ' 90' ' ' PRO . 34.5 mt -86.63 110.03 28.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.732 . . . . 0.0 110.936 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.401 ' HA ' ' HG2' ' A' ' 56' ' ' LYS . 53.3 Cg_endo -69.71 179.29 3.77 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.378 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -82.69 20.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.798 ' HB2' HG22 ' A' ' 88' ' ' VAL . 21.2 mmtt -115.27 -50.15 2.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.726 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.9 t80 -27.34 140.87 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.672 0.749 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.726 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 54.1 Cg_endo -69.79 -9.17 10.94 Favored 'Cis proline' 0 C--N 1.341 0.14 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.31 0.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.501 ' HB3' ' HB3' ' A' ' 84' ' ' LYS . . . -33.33 -76.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.798 HG22 ' HB2' ' A' ' 84' ' ' LYS . 2.5 m -99.5 129.52 49.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.563 HD12 ' HG2' ' A' ' 116' ' ' GLN . 59.3 mt -48.24 157.64 0.65 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.706 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.624 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.2 Cg_endo -69.76 156.46 63.28 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.636 2.224 . . . . 0.0 112.376 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -90.82 77.83 6.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 31.5 mt -83.7 106.81 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.409 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 85.6 m -102.76 108.72 20.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.2 t -81.38 132.65 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -131.68 149.61 52.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.542 ' HB3' HD12 ' A' ' 99' ' ' LEU . 43.7 t -172.7 134.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.589 HG13 HD23 ' A' ' 98' ' ' LEU . 4.3 p -64.2 -32.72 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.13 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.817 HD11 ' HB2' ' A' ' 73' ' ' ALA . 15.6 mt -65.84 -43.15 89.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.542 HD12 ' HB3' ' A' ' 96' ' ' SER . 49.8 mt -70.19 138.29 51.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.4 t -83.65 152.84 24.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -45.95 -34.76 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.1 m -78.19 -54.48 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -53.47 -55.66 23.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -40.35 -53.67 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 89.1 m -45.78 -61.33 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -49.82 -55.03 15.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.439 HD12 ' CD2' ' A' ' 139' ' ' TYR . 10.6 tt -42.79 -60.2 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -50.13 -51.82 40.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 23.0 m -43.45 -42.62 4.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.552 ' HB3' ' CH2' ' A' ' 131' ' ' TRP . 0.7 OUTLIER -75.27 -56.85 4.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.717 HD13 HG23 ' A' ' 132' ' ' VAL . 11.1 tp -36.63 -60.16 0.62 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.0 m -56.54 -49.46 74.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -48.58 -53.76 17.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 113' ' ' ALA . 8.0 t80 -35.47 -60.6 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.656 HD11 ' HB2' ' A' ' 128' ' ' ALA . 6.2 mt -58.56 -51.33 70.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.563 ' HG2' HD12 ' A' ' 89' ' ' LEU . 40.6 mt-30 -45.4 -32.8 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -64.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -92.42 -65.04 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 86.0 m -71.06 90.81 0.86 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -143.14 116.67 9.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 97.46 -18.64 57.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.477 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.43 160.45 17.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.481 ' O ' HG23 ' A' ' 123' ' ' VAL . 15.7 m -84.53 110.94 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 28.1 m -154.55 105.29 2.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.449 ' CD1' ' HG3' ' A' ' 90' ' ' PRO . 47.1 mm -96.09 -50.99 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 127' ' ' ASN . 12.6 mt -45.23 -50.97 11.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 126' ' ' LEU . 9.8 m120 -36.65 -43.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.669 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -63.86 -51.58 63.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 30.1 p -55.28 -33.82 63.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -70.17 -29.06 65.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.562 ' CE3' ' O ' ' A' ' 131' ' ' TRP . 24.0 t90 -82.74 -22.42 34.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.717 HG23 HD13 ' A' ' 111' ' ' LEU . 98.9 t -87.97 -56.53 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.464 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 10.8 ptp180 -38.43 -26.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 132' ' ' VAL . 4.3 tp10 -95.26 -64.52 1.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.461 ' O ' ' C ' ' A' ' 136' ' ' ALA . 37.9 m-70 -53.61 -51.38 63.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.682 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -33.26 -70.32 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.484 ' HA ' HG12 ' A' ' 67' ' ' VAL . 21.9 m -45.51 -41.79 10.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -53.92 -54.27 32.05 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.439 ' CD2' HD12 ' A' ' 107' ' ' LEU . 68.2 m-85 -54.33 -53.46 53.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.946 0.403 . . . . 0.0 110.888 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 52.1 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.916 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.821 0.343 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -45.38 -51.79 10.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.99 -42.69 38.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -69.3 -42.22 75.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -47.07 -51.36 17.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -67.73 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.756 HD11 ' HD2' ' A' ' 42' ' ' LYS . 54.1 tp -40.05 -59.93 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.36 -59.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -52.67 -55.4 22.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.42 HD11 HD12 ' A' ' 81' ' ' LEU . 57.7 mt -47.44 -63.89 0.93 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -41.04 -55.84 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.554 HD23 ' HG2' ' A' ' 23' ' ' MET . 3.4 tt -51.47 -62.68 1.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 23' ' ' MET . 18.4 mt -36.01 -59.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.69 -43.18 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.162 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 t -76.45 -39.7 52.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.554 ' HG2' HD23 ' A' ' 19' ' ' LEU . 91.2 mmm -53.49 -39.18 64.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 -179.948 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.838 0.352 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -97.03 -73.24 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.59 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -96.13 128.72 43.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.517 HD13 ' ND2' ' A' ' 62' ' ' ASN . 5.1 mp -127.37 127.99 69.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.0 p -111.51 125.36 68.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -86.86 -50.85 6.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -88.44 89.84 8.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -81.98 -38.76 24.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.4 tp -45.73 -55.37 6.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.08 -45.92 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.097 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.72 HG12 ' HE2' ' A' ' 42' ' ' LYS . 54.2 t -69.26 -60.45 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -40.01 -47.28 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -67.59 -37.77 83.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.45 HD23 ' HB2' ' A' ' 14' ' ' LEU . 12.6 tp -56.47 -22.16 30.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.756 ' HD2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -83.38 -37.35 23.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.816 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -76.07 -50.31 15.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 45' ' ' ILE . 1.4 p -41.12 -41.5 1.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.444 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 34.9 mt -67.03 -50.67 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.1 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.953 0.406 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -85.43 130.52 34.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.08 97.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.169 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -97.65 122.15 40.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.546 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 40.1 p90 -155.44 126.07 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.486 HG22 ' N ' ' A' ' 61' ' ' ILE . 27.6 m -96.39 158.94 15.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.486 ' N ' HG22 ' A' ' 60' ' ' THR . 85.5 mt -133.58 127.27 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.517 ' ND2' HD13 ' A' ' 31' ' ' ILE . 67.3 m-80 -103.91 121.04 42.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.3 mtm -124.25 123.27 39.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -85.31 114.41 22.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.531 HD13 ' HA ' ' A' ' 133' ' ' ARG . 1.4 mt -142.66 162.19 36.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -85.13 151.54 24.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.6 m -121.42 -45.23 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.0 t -173.74 171.21 3.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 49.76 37.49 13.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 48.96 31.06 3.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -101.37 169.87 8.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.2 mtp -128.72 153.01 47.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.621 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -156.84 156.07 32.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 47.0 mtp -87.63 148.7 24.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.543 ' HZ ' HG21 ' A' ' 140' ' ' VAL . 16.8 m-85 -129.65 106.26 8.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.5 p -82.02 128.93 34.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.489 HD21 HG21 ' A' ' 132' ' ' VAL . 6.8 mp -123.08 95.25 4.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.959 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.6 93.32 1.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.546 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 12.0 m -92.98 125.02 37.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 95.2 mt -126.02 142.33 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.736 HD21 HD11 ' A' ' 125' ' ' ILE . 52.5 mt -113.67 115.76 46.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.583 0.706 . . . . 0.0 110.93 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -168.61 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -102.84 26.47 8.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.584 ' HD2' HG11 ' A' ' 88' ' ' VAL . 7.5 mttm -125.34 -42.39 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.724 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.7 t80 -28.85 141.35 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.71 0.767 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.724 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.8 -8.03 10.35 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.325 -0.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.514 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -32.18 -76.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.584 HG11 ' HD2' ' A' ' 84' ' ' LYS . 2.5 m -99.88 126.61 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.576 HD13 ' HD2' ' A' ' 90' ' ' PRO . 0.4 OUTLIER -42.46 160.88 0.18 Allowed Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.653 0.74 . . . . 0.0 110.913 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.59 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.1 Cg_endo -69.76 169.22 19.42 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.654 2.236 . . . . 0.0 112.345 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -111.03 66.18 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.483 HG21 HD21 ' A' ' 111' ' ' LEU . 69.8 mt -79.22 126.18 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 46.1 m -122.12 105.75 10.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.516 ' HB ' HD22 ' A' ' 107' ' ' LEU . 20.9 t -77.97 139.12 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -139.65 149.44 43.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.432 ' HB3' HD12 ' A' ' 99' ' ' LEU . 11.0 t -171.74 142.73 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.0 p -66.84 -34.22 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.621 HD11 ' CB ' ' A' ' 73' ' ' ALA . 13.1 mt -61.36 -52.28 65.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.432 HD12 ' HB3' ' A' ' 96' ' ' SER . 7.3 mt -55.47 174.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.8 t -127.06 161.44 28.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -43.73 -41.0 4.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.855 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 m -76.05 -68.92 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 104' ' ' GLN . 80.7 mm-40 -41.35 -63.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 103' ' ' GLN . 20.9 tp60 -36.15 -64.45 0.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 88.4 m -41.52 -63.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -44.94 -42.79 8.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 139' ' ' TYR . 9.6 tt -63.56 -42.97 98.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -57.32 -51.67 68.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 47.8 m -55.45 -61.51 2.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 111' ' ' LEU . 2.1 m-20 -46.86 -59.08 3.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.483 HD21 HG21 ' A' ' 92' ' ' ILE . 12.1 tp -34.01 -59.12 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.453 HG22 ' CG ' ' A' ' 116' ' ' GLN . 60.2 m -55.5 -54.47 43.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -38.48 -53.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -41.04 -61.97 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 128' ' ' ALA . 14.9 mt -61.07 -54.64 42.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.453 ' CG ' HG22 ' A' ' 112' ' ' THR . 24.5 mm-40 -35.66 -39.71 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -94.46 -65.02 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -53.28 -59.75 4.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 48.3 m -104.86 96.27 6.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -129.55 135.12 48.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 80.85 -8.81 55.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.7 175.93 5.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.87 0.367 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.67 HG12 ' CD2' ' A' ' 85' ' ' TYR . 34.3 m -113.58 115.47 49.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 3.6 m -156.82 106.91 2.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.736 HD11 HD21 ' A' ' 81' ' ' LEU . 19.4 mm -90.47 -41.54 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 12.9 mt -47.96 -44.05 30.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -45.34 -38.19 5.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.571 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -67.09 -60.0 2.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.08 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 78.0 p -51.79 -27.09 11.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -81.12 -24.98 37.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.629 ' CZ2' ' ND1' ' A' ' 135' ' ' HIS . 9.0 t90 -91.37 -20.77 21.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.489 HG21 HD21 ' A' ' 77' ' ' LEU . 24.5 t -84.11 -57.32 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.153 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.531 ' HA ' HD13 ' A' ' 65' ' ' LEU . 20.0 ptt180 -35.29 -33.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 132' ' ' VAL . 7.6 tp10 -91.31 -67.96 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.629 ' ND1' ' CZ2' ' A' ' 131' ' ' TRP . 4.6 m-70 -42.91 -53.17 4.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 140' ' ' VAL . . . -34.73 -68.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 136' ' ' ALA . 1.3 t -34.4 -39.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -67.65 -56.65 10.69 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 107' ' ' LEU . 79.4 m-85 -52.42 -20.45 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 0.0 110.933 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 136' ' ' ALA . 1.8 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.104 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 9' ' ' GLN . 12.8 pt-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.829 0.347 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.443 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 34.7 tt0 -39.74 -57.23 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.18 -51.94 39.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -59.93 -34.76 73.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.86 -50.81 70.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.408 ' NE2' ' HB3' ' A' ' 85' ' ' TYR . 60.5 mt-30 -71.61 -41.73 68.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 15' ' ' ALA . 30.4 tp -56.98 -64.88 0.73 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.99 -55.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.041 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -50.2 -44.95 53.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' LEU . 87.9 mt -58.5 -70.03 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -42.39 -42.78 3.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.678 HD23 ' HG2' ' A' ' 23' ' ' MET . 4.1 tt -59.02 -55.35 36.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.5 mt -50.38 -55.48 15.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.02 -45.75 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.8 m -77.37 -38.49 49.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.678 ' HG2' HD23 ' A' ' 19' ' ' LEU . 65.5 mmm -48.65 -38.79 22.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.449 ' HB3' ' CD ' ' A' ' 29' ' ' GLU . 94.8 m-85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.683 0.754 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.77 0.319 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.449 ' CD ' ' HB3' ' A' ' 24' ' ' PHE . 2.2 pp20? -116.41 -39.14 3.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.773 HD12 HG12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -134.28 134.02 41.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.427 HD13 ' ND2' ' A' ' 62' ' ' ASN . 4.9 mp -130.61 129.15 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.403 HG11 ' NE2' ' A' ' 35' ' ' GLN . 1.5 p -104.87 99.52 8.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -52.65 -55.98 18.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -90.51 77.58 6.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.403 ' NE2' HG11 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -68.55 -41.57 79.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.8 tp -52.52 -43.7 65.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.31 -39.33 2.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.6 t -72.71 -57.23 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -45.77 -52.93 10.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.61 -40.39 94.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.9 tp -59.51 -51.76 68.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -49.24 -46.63 46.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 44' ' ' CYS . 8.8 t0 -55.85 -57.86 10.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 43' ' ' ASP . 76.0 m -35.69 -55.01 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 68.0 mt -46.18 -59.69 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.944 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.896 0.379 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -81.24 140.24 35.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 83.9 t -69.48 96.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.434 ' HE1' ' HB1' ' A' ' 78' ' ' ALA . 19.1 t80 -106.39 114.48 28.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 7.0 p90 -140.23 130.24 24.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 93.4 m -100.02 121.58 41.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.773 HG12 HD12 ' A' ' 30' ' ' LEU . 61.6 mt -98.69 125.92 51.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.427 ' ND2' HD13 ' A' ' 31' ' ' ILE . 83.5 m-20 -98.73 121.82 41.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 36.6 mtp -127.68 109.77 12.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.2 p-10 -84.19 114.56 21.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.595 HD13 ' HA ' ' A' ' 133' ' ' ARG . 0.5 OUTLIER -140.54 162.55 35.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -78.66 151.86 32.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.499 HG12 HG21 ' A' ' 140' ' ' VAL . 20.5 m -123.64 -41.54 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.177 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 69' ' ' ASP . 1.6 t -175.41 179.58 1.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 68' ' ' SER . 15.9 m-20 33.8 54.2 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' ASP . 22.9 tt0 35.04 48.71 0.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.02 174.87 5.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.0 mtp -133.06 152.94 51.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.474 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -153.07 154.67 35.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 47.4 mtp -86.95 151.24 23.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.552 ' CZ ' ' HB1' ' A' ' 136' ' ' ALA . 25.9 m-85 -132.13 100.19 4.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.6 p -82.62 116.98 22.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.566 ' HG ' HG22 ' A' ' 94' ' ' VAL . 6.6 mp -108.65 94.83 5.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.434 ' HB1' ' HE1' ' A' ' 58' ' ' TYR . . . -71.92 98.75 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 2.7 m -100.0 130.73 46.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 89.9 mt -127.4 118.99 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.9 mt -95.71 107.51 34.2 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.608 0.718 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -176.77 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.256 . . . . 0.0 112.371 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -90.37 26.19 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.627 ' HB2' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -119.92 -49.75 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.718 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.7 t80 -28.36 142.07 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.667 0.746 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.718 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.7 Cg_endo -69.75 -2.44 7.13 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.321 -0.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.46 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -40.08 -73.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.627 HG22 ' HB2' ' A' ' 84' ' ' LYS . 2.8 m -104.11 127.23 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.428 HD11 ' HA ' ' A' ' 116' ' ' GLN . 53.4 mt -49.48 155.44 1.32 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.605 0.717 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.604 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.2 Cg_endo -69.77 168.98 20.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.71 2.273 . . . . 0.0 112.343 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -103.46 65.76 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.8 mt -70.81 110.3 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.144 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.436 ' CG2' ' HE ' ' A' ' 95' ' ' ARG . 89.3 m -111.45 102.96 11.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.566 HG22 ' HG ' ' A' ' 77' ' ' LEU . 61.7 t -73.23 135.67 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.436 ' HE ' ' CG2' ' A' ' 93' ' ' THR . 21.4 mmt180 -140.93 146.07 36.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 98' ' ' LEU . 4.6 t -174.1 131.17 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.472 HG13 HD23 ' A' ' 98' ' ' LEU . 7.4 p -37.5 -32.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.474 HD11 ' CB ' ' A' ' 73' ' ' ALA . 10.3 mt -66.66 -57.09 7.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.423 HD21 HG13 ' A' ' 140' ' ' VAL . 12.2 mt -74.84 126.02 30.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 66.9 m -110.7 -75.24 0.62 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.14 -75.02 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 70.3 m -52.54 -63.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.784 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.43 ' H ' ' CD ' ' A' ' 103' ' ' GLN . 12.4 mp0 -49.29 -56.13 10.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -55.4 -68.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 45.3 m -42.52 -48.41 5.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -57.58 -36.61 71.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.491 ' HA ' ' CZ ' ' A' ' 139' ' ' TYR . 9.7 tt -73.4 -55.28 6.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 24.9 m-20 -54.74 -46.98 74.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.2 m -47.16 -42.35 19.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 111' ' ' LEU . 1.9 m-20 -80.93 -53.83 6.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.45 ' CD2' HG23 ' A' ' 94' ' ' VAL . 12.0 tp -33.81 -51.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.713 HG22 ' OE1' ' A' ' 116' ' ' GLN . 24.7 m -67.01 -53.1 34.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -47.19 -50.14 21.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.055 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.527 ' CZ ' ' ND2' ' A' ' 127' ' ' ASN . 9.1 t80 -42.03 -59.17 1.83 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.553 HD11 ' HB2' ' A' ' 128' ' ' ALA . 29.3 mt -63.69 -55.33 24.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.713 ' OE1' HG22 ' A' ' 112' ' ' THR . 39.5 mt-30 -34.44 -48.53 0.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -82.18 -64.37 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -43.93 -61.68 1.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.801 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.8 t -123.1 120.27 32.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -133.33 83.11 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 124.65 43.38 0.31 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -159.42 178.44 9.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.682 HG12 ' CE2' ' A' ' 85' ' ' TYR . 17.1 m -109.6 91.22 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 11.5 m -134.81 89.82 2.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 43.8 mm -82.69 -49.6 16.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.423 HD21 ' HE2' ' A' ' 23' ' ' MET . 3.1 mt -47.14 -47.27 23.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.527 ' ND2' ' CZ ' ' A' ' 114' ' ' PHE . 18.2 t30 -40.63 -38.35 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.553 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -68.88 -54.4 15.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 73.3 p -53.35 -28.81 30.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -77.81 -20.46 53.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.722 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 27.9 t90 -92.1 -28.39 17.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 71.7 t -79.93 -50.51 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.595 ' HA ' HD13 ' A' ' 65' ' ' LEU . 5.5 ptm180 -44.64 -29.21 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -93.55 -67.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.722 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 8.7 m-70 -45.81 -48.61 15.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.618 ' O ' HG22 ' A' ' 140' ' ' VAL . . . -33.37 -71.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.547 ' HA ' HG23 ' A' ' 140' ' ' VAL . 11.7 m -36.87 -40.32 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -57.99 -59.48 10.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.491 ' CZ ' ' HA ' ' A' ' 107' ' ' LEU . 86.6 m-85 -58.2 -41.3 83.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.955 0.407 . . . . 0.0 110.94 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 136' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.088 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.824 0.345 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -52.57 -46.63 66.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.94 87.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' ALA . 42.7 mt-10 -64.89 -45.58 85.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . -35.97 -63.2 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -51.99 -54.26 31.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' ALA . 39.3 tp -49.55 -60.62 2.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.62 -57.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -51.84 -62.4 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt -45.52 -55.9 5.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 18' ' ' ASP . 30.3 t0 -51.33 -42.77 61.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.522 HD11 ' SD ' ' A' ' 23' ' ' MET . 8.5 tp -66.51 -59.22 3.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 19' ' ' LEU . 16.2 mt -36.33 -54.82 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.58 -48.3 28.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 p -69.91 -38.95 76.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.802 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.522 ' SD ' HD11 ' A' ' 19' ' ' LEU . 53.1 mmm -56.95 -41.92 79.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.497 ' CB ' ' OE1' ' A' ' 29' ' ' GLU . 92.3 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 m120 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.794 0.331 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.497 ' OE1' ' CB ' ' A' ' 24' ' ' PHE . 2.3 pp20? -117.32 -38.79 3.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.446 ' O ' HD23 ' A' ' 30' ' ' LEU . 1.1 tt -144.04 129.88 19.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.2 mp -131.08 117.36 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.608 HG22 ' HB3' ' A' ' 59' ' ' PHE . 51.2 t -94.4 94.49 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -64.98 -51.5 61.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -75.52 64.35 1.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -66.91 -27.39 67.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.8 tp -64.06 -36.41 83.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.69 -50.64 72.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.071 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.656 HG12 ' HD2' ' A' ' 42' ' ' LYS . 90.2 t -59.73 -39.12 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.162 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.91 -41.33 77.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -65.0 -44.38 89.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.2 tp -60.07 -58.62 7.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.656 ' HD2' HG12 ' A' ' 38' ' ' VAL . 43.8 mttt -48.91 -40.28 29.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.945 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 44' ' ' CYS . 15.4 t0 -69.39 -54.65 13.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 43' ' ' ASP . 22.3 m -37.54 -56.88 0.99 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.1 mt -51.41 -46.2 34.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.926 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.7 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.948 0.404 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.4 ' HB3' HG23 ' A' ' 80' ' ' ILE . 14.0 mttm -72.6 153.68 41.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.3 t -83.38 97.46 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.076 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -96.5 126.08 41.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.608 ' HB3' HG22 ' A' ' 32' ' ' VAL . 13.9 p90 -153.54 131.53 11.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.1 m -98.86 150.0 22.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 53.0 mt -126.92 118.6 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -90.48 110.41 21.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 72.2 mtp -110.62 119.84 40.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.421 ' O ' HD23 ' A' ' 65' ' ' LEU . 4.4 m120 -88.54 121.49 30.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 64' ' ' ASN . 0.3 OUTLIER -148.49 148.41 30.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -73.78 147.0 43.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.675 ' HB ' HG11 ' A' ' 140' ' ' VAL . 21.2 m -122.79 -48.24 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.52 ' N ' HG23 ' A' ' 67' ' ' VAL . 5.3 t -175.22 170.54 3.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 71' ' ' LYS . 4.6 m-20 50.9 51.87 16.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 38.35 28.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 69' ' ' ASP . 24.8 mtpp -115.78 176.36 5.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.23 164.03 32.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.7 165.78 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 40.9 mtp -96.49 137.95 34.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -117.54 117.83 30.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.8 m -89.44 126.42 35.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.531 HD21 HG21 ' A' ' 132' ' ' VAL . 6.1 mp -117.89 93.95 4.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.967 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.74 94.26 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 52.5 m -95.57 115.54 27.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.4 HG23 ' HB3' ' A' ' 56' ' ' LYS . 78.2 mt -118.94 118.76 58.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.9 mt -91.88 118.89 68.49 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.629 0.728 . . . . 0.0 110.933 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -170.56 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.67 2.246 . . . . 0.0 112.366 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -89.11 -20.37 24.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.564 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 11.4 mttt -77.2 -45.81 25.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.752 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.5 t80 -26.38 141.46 0.05 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.633 0.73 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.752 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 54.0 Cg_endo -69.78 -10.47 11.54 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.334 -0.053 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.564 ' HB3' ' HB3' ' A' ' 84' ' ' LYS . . . -30.98 -76.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.548 HG22 ' HB2' ' A' ' 84' ' ' LYS . 2.1 m -98.43 125.14 51.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.499 ' CD2' ' HD2' ' A' ' 90' ' ' PRO . 13.5 mt -42.7 161.37 0.18 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.626 0.727 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.585 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.2 Cg_endo -69.79 -171.23 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.651 2.234 . . . . 0.0 112.33 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -126.35 59.39 1.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.1 mt -66.76 126.96 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.179 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.1 m -120.8 102.3 8.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.485 ' CG2' HD22 ' A' ' 111' ' ' LEU . 45.8 t -73.41 129.58 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -140.72 128.95 22.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.0 t -149.6 130.99 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 38.6 t -47.51 -36.89 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.56 HD22 HG11 ' A' ' 67' ' ' VAL . 6.7 mp -66.44 -54.71 21.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 97.9 mt -59.15 112.39 1.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.5 m -63.58 152.09 39.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -40.52 -47.21 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.6 p -68.62 -57.14 6.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -46.23 -62.14 1.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.624 HE22 HD22 ' A' ' 107' ' ' LEU . 17.3 tp60 -41.0 -55.77 2.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 88.9 m -41.37 -59.38 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.096 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -51.08 -45.92 61.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.624 HD22 HE22 ' A' ' 104' ' ' GLN . 9.1 tt -57.08 -58.54 7.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -45.78 -58.49 3.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.5 m -42.77 -39.82 2.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.54 -55.98 5.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.523 ' HA ' ' CZ3' ' A' ' 131' ' ' TRP . 21.6 tp -38.58 -53.75 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 86.8 m -60.98 -50.0 75.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -47.35 -52.38 16.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.405 ' CD1' ' CD1' ' A' ' 131' ' ' TRP . 8.9 t80 -39.9 -56.58 1.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.7 mt -60.43 -58.23 9.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -39.57 -35.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -78.27 -63.36 1.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -84.59 -66.66 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 77.9 m -79.4 93.91 5.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -135.33 121.02 19.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 73.52 39.44 49.98 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.24 156.79 31.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.681 ' O ' HG23 ' A' ' 123' ' ' VAL . 35.7 m -83.18 91.74 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 89.6 m -134.88 83.08 2.0 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 41.4 mm -83.86 -39.28 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.55 -47.48 86.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -42.44 -38.86 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.468 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -67.87 -51.81 43.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.071 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 60.4 p -54.63 -32.26 58.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -75.42 -32.14 60.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.592 ' CZ2' ' CD2' ' A' ' 135' ' ' HIS . 36.1 t90 -80.74 -15.78 55.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.531 HG21 HD21 ' A' ' 77' ' ' LEU . 54.1 t -81.31 -64.65 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -41.88 -23.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 132' ' ' VAL . 5.7 mm-40 -82.83 -66.51 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.592 ' CD2' ' CZ2' ' A' ' 131' ' ' TRP . 5.4 m-70 -59.51 -50.03 75.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.35 -70.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 59.1 p -41.78 -37.1 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -61.75 -50.54 65.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.484 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -62.94 -44.77 95.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.899 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.675 HG11 ' HB ' ' A' ' 67' ' ' VAL . 96.2 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 9' ' ' GLN . 12.0 pt-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.809 0.338 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.456 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 27.7 tt0 -43.45 -63.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -40.84 -44.02 2.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -66.08 -45.62 80.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.34 -49.93 2.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.416 ' NE2' ' HB3' ' A' ' 85' ' ' TYR . 37.0 mt-30 -70.71 -61.12 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 15' ' ' ALA . 56.7 tp -45.95 -64.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.96 -59.6 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.089 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -49.43 -53.88 20.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.798 HD21 ' CD1' ' A' ' 81' ' ' LEU . 58.2 mt -49.79 -65.32 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -40.47 -40.74 1.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 tp -68.85 -60.33 2.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.8 mt -38.68 -49.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.55 -47.64 14.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 m -76.24 -40.83 50.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 76.6 mmm -48.1 -36.36 13.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.671 0.748 . . . . 0.0 110.9 -179.908 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.764 0.316 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -95.68 -32.23 12.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.582 HD21 HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -142.58 137.45 30.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.417 ' CD1' ' ND2' ' A' ' 62' ' ' ASN . 5.4 mp -129.57 121.34 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.582 HG23 HD21 ' A' ' 30' ' ' LEU . 83.6 t -101.73 94.22 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.444 ' HB2' ' CD2' ' A' ' 58' ' ' TYR . 33.2 m-80 -62.42 -56.72 15.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.457 ' OD1' ' HB2' ' A' ' 37' ' ' ALA . 3.4 t0 -74.43 86.67 2.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -76.32 -47.42 23.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.1 tp -50.02 -45.26 51.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.457 ' HB2' ' OD1' ' A' ' 34' ' ' ASP . . . -41.7 -40.61 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 41' ' ' LEU . 93.0 t -78.1 -62.22 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -39.96 -42.28 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -76.1 -37.14 58.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' VAL . 53.9 tp -58.22 -39.59 79.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -60.63 -52.62 64.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -49.43 -49.94 42.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.7 t -42.61 -62.17 1.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.6 mt -54.39 -43.6 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.994 0.426 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -79.7 152.88 29.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.7 t -75.98 98.06 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.444 ' CD2' ' HB2' ' A' ' 33' ' ' ASN . 13.5 t80 -97.95 120.99 39.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -154.03 119.95 5.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.5 m -99.17 131.47 45.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.0 mt -103.44 129.38 55.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.417 ' ND2' ' CD1' ' A' ' 31' ' ' ILE . 74.2 m-20 -102.05 116.48 32.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.446 ' C ' ' SD ' ' A' ' 74' ' ' MET . 56.5 mtp -118.94 120.56 37.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.453 ' N ' ' SD ' ' A' ' 74' ' ' MET . 1.7 p-10 -91.2 122.34 33.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.58 162.23 38.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -88.48 140.83 29.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.736 ' HB ' HG11 ' A' ' 140' ' ' VAL . 4.3 m -113.75 -46.34 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 t -171.96 -179.93 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 71' ' ' LYS . 75.9 m-20 43.65 50.57 6.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.827 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' ASP . 12.4 pt-20 34.39 33.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 69' ' ' ASP . 25.0 mtmt -109.34 165.7 11.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 29.5 mtp -127.89 154.83 45.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.785 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -148.45 169.81 19.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.453 ' SD ' ' N ' ' A' ' 64' ' ' ASN . 1.4 tpt -110.48 142.5 42.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -114.9 131.46 56.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.3 m -100.22 116.63 32.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.459 ' HG ' HG22 ' A' ' 94' ' ' VAL . 6.7 mp -108.81 92.81 4.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.85 93.78 2.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 50.9 t -99.27 136.06 39.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 91.2 mt -132.47 117.24 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.798 ' CD1' HD21 ' A' ' 17' ' ' LEU . 11.9 mt -92.87 117.86 67.7 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -173.53 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -92.8 -4.74 52.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.759 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 19.7 mtmm -91.14 -45.56 8.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.74 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.5 t80 -25.03 142.5 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.689 0.757 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.74 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.76 -10.92 11.73 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.344 -0.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.759 ' HB3' ' HB3' ' A' ' 84' ' ' LYS . . . -28.98 -76.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.059 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.754 HG11 ' CE ' ' A' ' 84' ' ' LYS . 2.9 m -101.31 127.29 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.0 mt -46.13 158.47 0.37 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.638 0.733 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.632 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.74 -169.18 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.646 2.231 . . . . 0.0 112.358 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -132.42 80.04 1.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.4 mt -90.12 140.61 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.9 m -134.63 100.99 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.459 HG22 ' HG ' ' A' ' 77' ' ' LEU . 49.6 t -73.13 124.89 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.152 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -136.06 130.28 33.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.8 t -148.84 119.9 7.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.7 m -42.22 -29.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.145 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.785 HD11 ' CB ' ' A' ' 73' ' ' ALA . 19.5 mt -61.02 -56.8 16.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.646 HD23 HE21 ' A' ' 103' ' ' GLN . 8.1 mt -68.91 158.06 35.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.473 ' H ' ' CG ' ' A' ' 103' ' ' GLN . 28.5 p -101.37 150.68 22.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.31 -20.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.6 m -80.2 -68.33 0.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.646 HE21 HD23 ' A' ' 99' ' ' LEU . 8.3 pt20 -58.56 -45.29 89.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -50.19 -37.07 33.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 79.1 m -54.76 -60.71 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -54.28 -44.42 71.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.592 HD12 ' CD2' ' A' ' 139' ' ' TYR . 9.8 tt -50.77 -50.73 55.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -51.08 -57.38 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 57.9 m -48.02 -55.23 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.172 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.74 -60.39 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.495 HD13 HG23 ' A' ' 132' ' ' VAL . 18.1 tp -39.01 -44.09 1.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 21.2 m -66.34 -53.28 38.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -41.02 -58.38 1.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.081 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.635 ' CG ' ' CD1' ' A' ' 131' ' ' TRP . 21.4 t80 -35.23 -62.95 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 116' ' ' GLN . 7.1 mt -57.93 -57.04 14.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 115' ' ' LEU . 28.0 mt-30 -35.19 -35.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 115' ' ' LEU . 28.3 tttt -96.59 -65.31 0.98 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -51.98 -62.59 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 8.8 m -107.84 103.22 12.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -126.6 87.41 2.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 109.66 39.32 1.62 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -153.02 169.56 22.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.892 0.377 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.645 ' O ' HG23 ' A' ' 123' ' ' VAL . 31.5 m -101.93 90.87 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 5.2 m -135.04 103.61 5.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.738 HD11 HD21 ' A' ' 81' ' ' LEU . 33.8 mm -95.96 -38.83 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 17.3 mt -57.52 -37.72 73.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -51.73 -39.76 58.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.37 -60.84 2.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.072 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 68.0 p -47.09 -46.16 22.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -60.77 -29.32 69.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.694 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 18.4 t90 -85.35 -19.44 31.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.495 HG23 HD13 ' A' ' 111' ' ' LEU . 50.8 t -87.28 -57.3 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 134' ' ' GLU . 8.5 ptt-85 -42.37 -29.91 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.443 ' N ' ' HG3' ' A' ' 133' ' ' ARG . 4.5 tm-20 -88.57 -67.65 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.694 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 13.5 m-70 -47.27 -52.76 15.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.76 -69.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.094 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 51.6 p -39.34 -37.63 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -61.63 -59.12 10.31 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.592 ' CD2' HD12 ' A' ' 107' ' ' LEU . 89.5 m-85 -53.23 -44.07 67.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.377 . . . . 0.0 110.934 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.736 HG11 ' HB ' ' A' ' 67' ' ' VAL . 67.9 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.797 0.332 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -71.66 -51.58 22.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.942 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.86 -29.11 69.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -78.76 -40.7 32.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -46.3 -46.33 17.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -67.38 -69.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.506 HD13 ' HG3' ' A' ' 42' ' ' LYS . 15.1 tp -40.23 -53.84 2.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -38.74 -54.53 1.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.7 -61.33 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.516 ' HA ' HD12 ' A' ' 20' ' ' LEU . 26.6 mt -41.66 -58.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -46.83 -42.2 16.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.1 tp -70.4 -42.61 71.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 17' ' ' LEU . 33.0 mt -54.0 -55.98 22.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.12 -43.98 3.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.4 m -78.23 -36.51 46.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 74.4 mmm -55.64 -33.27 63.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.681 0.753 . . . . 0.0 110.886 -179.925 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.768 0.318 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -92.99 -37.62 12.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.441 HD23 ' C ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -143.98 142.5 30.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mp -139.24 123.1 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.457 HG22 ' CB ' ' A' ' 59' ' ' PHE . 49.5 t -102.24 98.87 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -69.63 -48.52 59.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -84.6 98.67 10.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -88.75 -46.55 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' ' 36' ' ' LEU . 2.2 mm? -40.29 -59.46 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LEU . . . -36.9 -45.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.059 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' ALA . 90.5 t -70.43 -66.98 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.15 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' VAL . . . -36.6 -46.96 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.46 -51.01 67.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 27.1 tp -54.33 -50.93 66.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.506 ' HG3' HD13 ' A' ' 14' ' ' LEU . 8.7 mtpp -56.85 -52.77 63.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -55.7 -43.31 76.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 38.4 t -48.7 -64.2 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.4 mt -40.62 -45.16 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.914 0.388 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -78.7 152.46 31.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 42.7 t -78.37 97.25 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -96.99 128.02 43.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.971 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.496 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 3.8 p90 -158.34 127.46 5.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.0 m -93.99 141.29 28.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.1 mt -117.57 124.81 73.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.48 ' HB3' ' CE ' ' A' ' 74' ' ' MET . 63.4 m-80 -102.39 121.18 41.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.598 ' HE3' ' HB3' ' A' ' 133' ' ' ARG . 15.9 mtm -121.83 118.18 28.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.447 ' C ' ' HG ' ' A' ' 65' ' ' LEU . 6.8 m-20 -81.68 115.87 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.549 HD13 ' HA ' ' A' ' 133' ' ' ARG . 1.0 OUTLIER -146.69 154.05 40.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -69.02 144.98 53.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.615 HG23 ' N ' ' A' ' 68' ' ' SER . 27.5 m -118.2 -52.72 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.615 ' N ' HG23 ' A' ' 67' ' ' VAL . 5.9 t -174.89 -174.99 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 68' ' ' SER . 1.4 m-20 34.98 51.23 0.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.438 ' HG2' ' C ' ' A' ' 69' ' ' ASP . 10.9 pt-20 41.51 46.17 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 68' ' ' SER . 1.3 ptmt -144.34 162.81 35.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.2 ptm -124.19 176.22 6.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.533 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -146.91 172.04 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.081 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.48 ' CE ' ' HB3' ' A' ' 62' ' ' ASN . 1.5 tpt -99.38 104.71 16.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.498 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 45.0 m-85 -89.83 111.31 22.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 55.3 m -93.77 118.47 31.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.7 mp -107.52 100.85 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.09 93.23 3.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 16.7 m -95.0 137.32 34.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 90.3 mt -140.08 124.9 19.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.183 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.518 HD23 ' HB3' ' A' ' 90' ' ' PRO . 18.4 mt -95.67 122.82 57.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.505 ' HG3' HG23 ' A' ' 88' ' ' VAL . 54.0 Cg_endo -69.8 -168.39 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.664 2.243 . . . . 0.0 112.35 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -93.98 -24.32 17.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.538 ' CB ' ' HB3' ' A' ' 87' ' ' ALA . 8.9 mttt -76.66 -37.74 55.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.775 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.6 t80 -28.68 142.14 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.677 0.751 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.775 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 54.1 Cg_endo -69.75 -7.31 9.88 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.377 -0.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.538 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -32.13 -77.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.505 HG23 ' HG3' ' A' ' 82' ' ' PRO . 1.9 m -97.2 125.05 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.448 ' CD2' ' HD2' ' A' ' 90' ' ' PRO . 15.2 mt -43.84 160.8 0.22 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.632 0.729 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.573 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.2 Cg_endo -69.76 177.03 5.99 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -117.43 78.62 1.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.418 ' CG2' HD21 ' A' ' 111' ' ' LEU . 59.0 mt -87.98 135.93 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.573 HG23 HD21 ' A' ' 108' ' ' ASN . 89.3 m -133.42 103.1 5.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.182 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.9 t -74.85 127.58 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.7 mmt85 -131.22 144.07 51.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.7 t -167.95 140.14 3.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.442 HG13 HD23 ' A' ' 98' ' ' LEU . 2.8 p -60.02 -37.7 73.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.533 HD11 ' CB ' ' A' ' 73' ' ' ALA . 11.3 mt -58.38 -57.12 14.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.54 131.05 49.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.0 p -82.64 160.41 22.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -44.88 -47.12 11.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.4 m -67.39 -63.81 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -43.05 -56.92 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.634 HE22 HD22 ' A' ' 107' ' ' LEU . 9.4 tp60 -46.05 -47.98 16.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 62.5 m -43.08 -43.39 4.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.131 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.41 ' NE2' ' OD2' ' A' ' 110' ' ' ASP . 25.3 tp60 -68.15 -74.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.636 ' C ' HD23 ' A' ' 107' ' ' LEU . 5.0 tt -39.95 -51.11 2.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.573 HD21 HG23 ' A' ' 93' ' ' THR . 2.4 t-20 -49.13 -50.76 35.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 86.1 m -66.54 -49.54 66.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.41 ' OD2' ' NE2' ' A' ' 106' ' ' GLN . 8.6 m-20 -50.01 -52.03 37.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.61 HD11 ' HB1' ' A' ' 128' ' ' ALA . 10.5 tp -41.14 -54.79 2.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 97.8 m -57.36 -55.5 33.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -42.86 -55.92 3.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 113' ' ' ALA . 16.6 t80 -37.02 -54.97 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 117' ' ' LYS . 69.6 mt -60.38 -58.99 6.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.427 ' HG2' ' CD1' ' A' ' 89' ' ' LEU . 11.4 mt-30 -39.39 -27.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 115' ' ' LEU . 0.1 OUTLIER -97.1 -66.67 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -60.69 -66.46 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 2.2 m -114.46 113.18 24.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -146.79 109.79 4.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 113.66 -14.15 22.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.46 166.85 11.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.796 0.331 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 123' ' ' VAL . 30.5 m -86.5 109.63 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.13 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 3.3 m -158.48 106.24 1.91 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 16.5 mm -94.79 -43.09 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 127' ' ' ASN . 12.0 mt -49.38 -57.03 7.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 126' ' ' LEU . 11.9 m120 -34.39 -37.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.61 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -71.61 -53.44 13.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.102 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 69.3 p -60.08 -16.91 35.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -84.32 -20.0 32.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.537 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 13.8 t90 -94.8 -25.89 16.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.58 HG23 HD13 ' A' ' 111' ' ' LEU . 42.2 t -81.01 -53.2 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.146 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.598 ' HB3' ' HE3' ' A' ' 63' ' ' MET . 5.4 ppt_? -39.72 -30.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -94.62 -65.44 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.537 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 5.0 m-70 -45.25 -50.76 11.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.498 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -33.67 -70.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 16.3 t -50.46 -37.37 38.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -51.41 -41.73 48.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . 0.429 ' CD2' HD12 ' A' ' 107' ' ' LEU . 97.0 m-85 -74.68 -51.24 14.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.912 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.543 HG11 ' HB ' ' A' ' 67' ' ' VAL . 61.0 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.817 0.342 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -63.55 -52.18 62.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.68 -37.32 63.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -73.9 -41.84 61.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -38.92 -52.42 1.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -68.9 -47.69 65.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.744 HD11 ' NZ ' ' A' ' 42' ' ' LYS . 37.3 tp -52.36 -63.51 1.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.09 -56.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -52.34 -43.03 64.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' LEU . 60.9 mt -65.83 -66.59 0.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -44.63 -48.71 10.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.557 HD23 ' HG2' ' A' ' 23' ' ' MET . 4.5 tt -55.54 -58.89 5.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 21' ' ' ALA . 29.2 mt -40.67 -55.22 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -37.29 -44.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.083 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t -75.79 -40.71 54.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.557 ' HG2' HD23 ' A' ' 19' ' ' LEU . 77.4 mmm -55.32 -30.29 59.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.7 0.762 . . . . 0.0 110.862 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.722 0.296 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -95.35 -58.53 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.527 HD21 HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -113.43 141.1 47.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.1 mp -133.25 124.15 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.563 HG22 ' CB ' ' A' ' 59' ' ' PHE . 67.7 t -105.88 94.12 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -61.31 -58.21 9.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.68 87.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -79.59 -51.26 9.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.4 tp -49.45 -47.42 48.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.0 -44.63 51.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.517 HG12 ' HE2' ' A' ' 42' ' ' LYS . 80.7 t -69.79 -47.5 69.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.91 -56.11 9.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.091 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -51.76 -47.21 64.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 41' ' ' LEU . 11.8 tp -48.75 -34.51 12.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.744 ' NZ ' HD11 ' A' ' 14' ' ' LEU . 1.7 mptp? -75.73 -66.06 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -42.64 -36.03 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 78.0 m -64.37 -51.02 65.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.4 mt -66.77 -44.41 89.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.933 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.4 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.911 0.386 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.624 ' HB3' HG23 ' A' ' 80' ' ' ILE . 17.8 mttp -80.87 135.2 35.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.8 t -59.35 95.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -101.73 124.01 46.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 10.9 p90 -155.57 121.59 5.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.5 m -91.23 143.25 26.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.8 mt -116.71 123.15 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.417 ' HB3' ' CE ' ' A' ' 74' ' ' MET . 75.8 m-20 -97.42 107.51 20.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.48 ' HE3' HD11 ' A' ' 65' ' ' LEU . 19.3 mtm -110.31 122.03 46.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.431 ' HB2' ' CE ' ' A' ' 72' ' ' MET . 17.9 p30 -92.08 109.09 20.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.547 HD13 ' HA ' ' A' ' 133' ' ' ARG . 3.2 mt -129.52 147.52 51.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -76.78 128.72 35.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.599 HG23 ' N ' ' A' ' 68' ' ' SER . 22.6 m -106.34 -48.95 8.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.599 ' N ' HG23 ' A' ' 67' ' ' VAL . 15.1 p -169.56 172.41 7.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 71' ' ' LYS . 10.4 m-20 46.52 52.68 10.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 38.01 29.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -117.72 174.57 6.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.431 ' CE ' ' HB2' ' A' ' 64' ' ' ASN . 6.6 ptm -147.07 158.47 43.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.774 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -128.1 162.13 27.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.417 ' CE ' ' HB3' ' A' ' 62' ' ' ASN . 4.1 tpt -92.71 119.14 31.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.407 ' HZ ' HG21 ' A' ' 140' ' ' VAL . 14.8 m-85 -97.4 123.66 41.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.6 m -97.52 113.94 25.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.3 mp -108.92 93.88 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.959 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.98 94.98 1.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 12.3 m -93.02 122.79 35.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.624 HG23 ' HB3' ' A' ' 56' ' ' LYS . 96.0 mt -126.25 116.08 44.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.061 HD21 HD11 ' A' ' 125' ' ' ILE . 22.1 mt -99.04 117.21 64.6 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.58 0.705 . . . . 0.0 110.935 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -172.26 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.667 2.245 . . . . 0.0 112.371 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -86.48 -28.41 23.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.83 ' HE3' HG11 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -67.59 -45.87 74.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.809 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.1 t80 -27.89 142.48 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.699 0.761 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.809 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.75 -9.36 10.95 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.748 -1.772 . . . . 0.0 112.336 -0.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.554 ' HB3' ' HB3' ' A' ' 84' ' ' LYS . . . -31.63 -77.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.83 HG11 ' HE3' ' A' ' 84' ' ' LYS . 2.3 m -95.72 124.68 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 88' ' ' VAL . 0.7 OUTLIER -39.7 161.29 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.611 0.719 . . . . 0.0 110.885 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.584 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.4 Cg_endo -69.72 -169.64 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -133.26 64.13 1.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 78.3 mt -75.69 138.33 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 99.1 m -134.07 99.77 4.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.4 t -73.43 137.84 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 34.2 mmt-85 -147.45 137.65 23.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.55 ' HB3' HD12 ' A' ' 99' ' ' LEU . 7.8 t -151.5 137.24 17.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.1 m -59.04 -33.72 51.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.09 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.774 HD11 ' CB ' ' A' ' 73' ' ' ALA . 18.4 mt -64.81 -51.15 63.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.55 HD12 ' HB3' ' A' ' 96' ' ' SER . 9.8 mt -63.97 173.08 1.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 84.1 p -113.4 174.19 6.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -38.96 91.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.8 m -77.3 -59.43 2.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -48.81 -62.42 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.419 HE22 HD22 ' A' ' 107' ' ' LEU . 13.9 tp60 -38.54 -51.26 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 92.1 m -45.79 -64.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.158 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -39.88 -58.41 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.448 ' C ' HD23 ' A' ' 107' ' ' LEU . 8.8 tt -41.64 -53.6 3.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -53.32 -54.85 30.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 43.1 m -42.46 -37.81 1.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.545 ' HB3' ' CZ2' ' A' ' 131' ' ' TRP . 0.7 OUTLIER -80.43 -57.25 3.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.624 HD11 ' HB1' ' A' ' 128' ' ' ALA . 8.4 tp -36.69 -59.46 0.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 113' ' ' ALA . 27.6 m -57.05 -61.17 2.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 112' ' ' THR . . . -37.84 -51.07 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.458 ' CG ' ' CD1' ' A' ' 131' ' ' TRP . 27.4 t80 -39.6 -62.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 119' ' ' CYS . 10.3 mt -57.18 -61.91 2.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 115' ' ' LEU . 11.4 mt-30 -36.48 -34.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 115' ' ' LEU . 10.5 tptm -84.33 -64.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -68.73 -58.32 4.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 115' ' ' LEU . 60.7 m -97.38 100.59 12.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -123.9 126.67 46.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 71.21 40.37 61.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -151.37 -177.8 6.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 123' ' ' VAL . 32.1 m -118.44 91.96 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 2.6 t -129.04 99.82 5.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 1.061 HD11 HD21 ' A' ' 81' ' ' LEU . 25.0 mm -91.36 -32.9 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 127' ' ' ASN . 12.9 mt -60.89 -60.64 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 126' ' ' LEU . 20.2 t-20 -34.47 -35.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.624 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -66.73 -51.37 56.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.09 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 126' ' ' LEU . 43.6 p -61.92 -32.26 72.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.166 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -75.55 -22.44 57.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.639 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 40.0 t90 -89.38 -17.6 28.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 134' ' ' GLU . 17.8 t -88.21 -63.52 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.547 ' HA ' HD13 ' A' ' 65' ' ' LEU . 6.9 ptm180 -37.08 -29.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 132' ' ' VAL . 23.7 tt0 -88.86 -61.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.639 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 16.3 m-70 -54.23 -53.62 51.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.97 -66.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 136' ' ' ALA . 94.3 p -35.0 -43.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -57.21 -58.51 14.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.449 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -61.93 -52.51 63.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.943 0.401 . . . . 0.0 110.976 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.407 HG21 ' HZ ' ' A' ' 75' ' ' PHE . 97.1 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.16 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.736 0.303 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -43.45 -54.27 4.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.07 -44.81 64.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -65.4 -38.1 88.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -49.92 -51.09 43.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -70.73 -39.9 73.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 15' ' ' ALA . 33.9 tp -57.22 -65.21 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.75 -59.9 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.5 ' OE2' ' N ' ' A' ' 124' ' ' CYS . 25.2 tt0 -45.94 -50.51 14.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.644 HD21 HG11 ' A' ' 57' ' ' VAL . 54.5 mt -55.89 -69.59 0.14 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -43.28 -42.06 4.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 20' ' ' LEU . 4.8 tt -57.4 -65.62 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 23' ' ' MET . 10.8 mt -36.17 -58.63 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.13 -46.84 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.4 m -68.62 -42.74 77.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 20' ' ' LEU . 93.8 mmm -55.21 -35.52 64.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.655 0.741 . . . . 0.0 110.867 -179.935 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.9 p30 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.835 0.35 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -93.2 -40.91 10.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.458 HD21 HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -141.86 140.87 33.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.97 117.03 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.458 HG23 HD21 ' A' ' 30' ' ' LEU . 53.1 t -92.23 94.87 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -58.11 -56.1 26.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.18 105.23 9.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 32' ' ' VAL . 9.0 mp0 -94.35 -36.42 11.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.408 ' C ' HD23 ' A' ' 36' ' ' LEU . 8.6 tt -61.45 -45.1 95.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.37 -40.73 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.9 t -72.84 -48.36 45.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.29 -48.6 24.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.1 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -60.4 -47.41 86.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.8 tp -52.34 -44.68 65.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -71.45 -63.3 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -41.46 -32.5 0.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.9 m -69.83 -64.45 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.7 mt -51.08 -46.54 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.4 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.921 0.391 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -67.21 147.3 53.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.644 HG11 HD21 ' A' ' 17' ' ' LEU . 96.0 t -72.55 98.42 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -98.77 124.23 43.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -155.84 133.81 11.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 41.9 m -103.21 150.63 23.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.9 mt -123.6 122.38 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -94.43 109.71 21.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 54.4 mtp -111.02 112.84 24.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -88.05 111.88 22.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 133' ' ' ARG . 1.1 mt -131.88 155.77 47.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -82.17 118.67 23.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.958 ' HB ' HG11 ' A' ' 140' ' ' VAL . 26.7 m -91.78 -51.18 11.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . 0.618 ' N ' HG23 ' A' ' 67' ' ' VAL . 40.3 p -174.57 178.64 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 47.81 47.85 17.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 42.88 27.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -119.51 179.18 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.8 ptm -147.25 164.56 32.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.631 ' HB2' HD11 ' A' ' 98' ' ' LEU . . . -132.63 175.14 9.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.9 ttm -106.59 115.89 30.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.645 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 11.6 m-85 -96.52 114.14 25.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 m -93.45 114.32 26.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.806 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.44 HD22 HG22 ' A' ' 129' ' ' THR . 6.7 mp -104.71 96.21 6.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.951 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.439 ' HB3' ' HB ' ' A' ' 93' ' ' THR . . . -74.98 100.01 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 60.7 m -98.88 137.39 37.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 68.2 mt -138.99 113.71 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.157 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.769 HD21 HD11 ' A' ' 125' ' ' ILE . 36.7 mt -92.18 114.66 62.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.619 0.723 . . . . 0.0 110.956 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -172.75 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -88.04 -12.79 43.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.781 ' HB2' HG22 ' A' ' 88' ' ' VAL . 20.5 mmtt -80.01 -51.4 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.703 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.9 t80 -26.3 141.07 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.731 0.777 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.703 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.73 -12.4 12.12 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.384 -0.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.592 ' HB3' ' HB3' ' A' ' 84' ' ' LYS . . . -33.09 -73.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.781 HG22 ' HB2' ' A' ' 84' ' ' LYS . 3.2 m -99.48 122.13 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.666 HD11 ' HA ' ' A' ' 116' ' ' GLN . 8.3 mt -42.9 161.78 0.18 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.626 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.74 -175.22 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.376 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -128.24 59.92 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.1 mt -66.46 133.91 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.439 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 53.5 m -127.02 101.9 6.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.718 ' CG2' HD22 ' A' ' 111' ' ' LEU . 13.4 t -78.48 139.8 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -147.54 158.66 44.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.444 ' HB3' HD12 ' A' ' 99' ' ' LEU . 43.0 t -163.42 152.89 14.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 4.7 m -79.45 -7.88 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.631 HD11 ' HB2' ' A' ' 73' ' ' ALA . 39.6 mt -97.58 -43.29 7.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.444 HD12 ' HB3' ' A' ' 96' ' ' SER . 13.5 mt -72.58 139.2 47.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.4 p -80.05 153.37 28.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -27.95 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 m -79.22 -64.63 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -48.25 -56.53 7.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -44.13 -52.13 7.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 86.3 m -41.23 -49.16 3.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -56.11 -63.03 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.674 ' C ' HD23 ' A' ' 107' ' ' LEU . 5.7 tt -41.23 -35.27 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -69.7 -59.95 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 89.2 m -44.28 -31.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 111' ' ' LEU . 83.4 m-20 -88.67 -47.92 7.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.718 HD22 ' CG2' ' A' ' 94' ' ' VAL . 14.2 tp -36.45 -46.29 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 113' ' ' ALA . 5.3 m -68.24 -59.87 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 112' ' ' THR . . . -34.02 -46.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . 0.667 ' CG ' ' CD1' ' A' ' 131' ' ' TRP . 30.8 t80 -51.76 -64.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.003 HD11 ' HB2' ' A' ' 128' ' ' ALA . 13.6 mt -64.02 -24.77 67.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.666 ' HA ' HD11 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -80.46 -23.79 39.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 113' ' ' ALA . 22.1 tptt -68.58 -56.38 8.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -103.27 -53.6 2.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' CYS . . . . . 0.462 ' C ' ' O ' ' A' ' 115' ' ' LEU . 13.3 m -75.61 52.48 0.65 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -76.0 93.65 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 98.86 -55.23 1.0 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.485 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -39.45 148.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.898 0.38 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 123' ' ' VAL . 19.5 m -80.72 111.79 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' CYS . . . . . 0.5 ' N ' ' OE2' ' A' ' 16' ' ' GLU . 16.8 m -161.91 105.77 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.769 HD11 HD21 ' A' ' 81' ' ' LEU . 24.5 mm -96.25 -30.71 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 128' ' ' ALA . 13.0 mt -59.82 -57.39 13.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.96 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.465 ' C ' HD21 ' A' ' 115' ' ' LEU . 5.4 m120 -36.53 -29.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 1.003 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -71.22 -57.29 4.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.44 HG22 HD22 ' A' ' 77' ' ' LEU . 67.2 p -55.22 -55.97 25.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -52.58 -23.66 6.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.735 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 4.6 t90 -88.34 -20.59 25.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' VAL . . . . . 0.459 HG23 HD13 ' A' ' 111' ' ' LEU . 20.9 t -85.86 -51.98 12.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.145 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.41 ' HA ' HD13 ' A' ' 65' ' ' LEU . 4.7 ptt180 -50.3 -28.49 7.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -87.82 -50.38 6.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' HIS . . . . . 0.735 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 22.6 m-70 -67.68 -58.84 3.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . 0.645 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -34.11 -63.96 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.058 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 136' ' ' ALA . 26.4 p -37.13 -44.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.62 -50.74 64.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -61.5 -44.15 97.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.961 0.41 . . . . 0.0 110.941 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.958 HG11 ' HB ' ' A' ' 67' ' ' VAL . 61.4 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.106 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 m -79.22 132.15 36.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.874 0.369 . . . . 0.0 110.81 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 t -112.77 148.87 33.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 42.82 -160.51 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.491 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.2 m -107.69 141.16 39.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.932 0.396 . . . . 0.0 110.832 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.6 t -45.43 165.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.5 59.02 5.56 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.493 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -62.28 -33.37 74.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.361 . . . . 0.0 110.958 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -52.31 -51.3 59.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.2 -38.38 76.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -74.6 -29.83 61.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.21 -36.87 83.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.108 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.446 ' HB2' HD21 ' A' ' 41' ' ' LEU . 53.6 mt-30 -79.49 -60.1 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.1 tp -45.13 -53.59 7.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -39.99 -58.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.099 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 19' ' ' LEU . 12.1 tt0 -52.78 -64.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.2 mt -38.73 -53.11 1.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -53.39 -39.54 64.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 16' ' ' GLU . 13.0 tp -69.34 -57.35 5.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.953 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 21' ' ' ALA . 25.5 mt -40.49 -57.46 1.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -35.75 -41.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t -75.41 -45.03 41.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.422 ' N ' ' O ' ' A' ' 20' ' ' LEU . 97.3 mmm -50.95 -25.83 5.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -122.22 81.17 44.68 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.63 0.729 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -24.25 29.6 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -48.95 165.46 0.28 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.472 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -90.8 -33.65 15.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.952 0.406 . . . . 0.0 110.915 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -117.66 46.06 1.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -106.52 -41.67 5.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.587 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -142.64 131.72 23.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.439 HD13 ' ND2' ' A' ' 62' ' ' ASN . 4.6 mp -133.19 129.82 57.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.0 p -108.26 121.4 61.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -84.47 -39.87 18.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -95.32 79.03 3.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.431 ' NE2' ' HA ' ' A' ' 35' ' ' GLN . 4.4 tp-100 -75.41 -38.57 59.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.1 tp -48.68 -43.32 36.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -47.32 -54.25 11.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.9 t -56.03 -51.47 61.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.42 -44.6 24.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.077 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -65.4 -34.63 78.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.446 HD21 ' HB2' ' A' ' 13' ' ' GLN . 10.4 tp -71.41 -25.86 62.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -83.6 -36.52 23.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -76.54 -43.26 39.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.836 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 9.9 p -49.57 -39.42 34.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.5 mt -65.98 -50.45 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -58.75 -51.57 69.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -70.82 -18.51 62.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.5 mttm 47.06 42.75 13.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 t -118.36 -9.16 10.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 40.67 43.56 1.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -133.98 87.23 2.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 178.98 -59.78 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.457 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -38.1 101.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.812 0.339 . . . . 0.0 110.92 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.5 t -112.29 -15.11 13.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 m -121.97 146.67 46.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.855 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.6 mttt -81.13 145.09 31.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -69.48 97.08 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -101.21 126.53 47.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 43.9 p90 -154.55 132.35 11.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 28.6 m -97.44 148.79 22.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 34.5 mt -123.53 116.69 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.439 ' ND2' HD13 ' A' ' 31' ' ' ILE . 67.0 m-80 -93.07 115.71 28.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 34.5 mtp -118.08 123.72 46.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.548 ' HB3' ' HE1' ' A' ' 74' ' ' MET . 34.8 p-10 -87.01 113.97 23.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.702 HD13 ' HA ' ' A' ' 133' ' ' ARG . 0.3 OUTLIER -142.36 161.94 36.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -93.97 147.14 23.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.91 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.605 HG23 ' N ' ' A' ' 68' ' ' SER . 27.1 m -116.57 -51.76 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.605 ' N ' HG23 ' A' ' 67' ' ' VAL . 3.1 m -166.53 -179.44 4.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 45.11 41.23 5.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 pm0 41.6 35.68 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -113.0 164.25 13.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.451 ' HE2' ' HB2' ' A' ' 64' ' ' ASN . 18.3 mtp -122.56 159.3 28.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.675 ' CB ' HD21 ' A' ' 98' ' ' LEU . . . -154.91 159.49 40.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.066 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.548 ' HE1' ' HB3' ' A' ' 64' ' ' ASN . 2.2 tpt -91.84 141.17 28.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.801 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 9.3 m-85 -120.58 109.97 15.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.1 m -85.92 122.68 30.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.812 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.617 ' HG ' HG22 ' A' ' 94' ' ' VAL . 5.8 mp -114.89 93.5 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.25 93.36 1.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 30.4 m -92.94 133.56 35.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.8 mt -127.99 123.39 60.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.8 mt -97.51 111.7 59.23 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.578 0.704 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -179.49 2.98 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.331 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -90.63 27.35 1.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.848 ' HB2' HG22 ' A' ' 88' ' ' VAL . 4.2 mttm -125.12 -43.05 1.97 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.906 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.669 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.8 t80 -31.24 140.73 0.15 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.669 0.747 . . . . 0.0 110.927 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.669 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.8 -8.66 10.7 Favored 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.381 -0.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.486 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -31.91 -73.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.848 HG22 ' HB2' ' A' ' 84' ' ' LYS . 10.4 m -109.13 130.75 61.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 43.5 mt -51.06 153.63 3.06 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.594 0.712 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.616 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.2 Cg_endo -69.74 176.8 6.28 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.711 2.274 . . . . 0.0 112.287 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -107.31 55.37 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.0 mt -59.85 118.15 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 89.8 m -120.18 103.06 8.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.617 HG22 ' HG ' ' A' ' 77' ' ' LEU . 11.0 t -76.81 135.32 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -142.48 141.91 32.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 98' ' ' LEU . 6.4 t -166.59 121.78 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.7 HG23 HD12 ' A' ' 98' ' ' LEU . 35.7 m -39.5 -29.27 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.104 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.7 HD12 HG23 ' A' ' 97' ' ' VAL . 8.8 mp -60.77 -55.85 28.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.437 HD13 HD13 ' A' ' 107' ' ' LEU . 13.0 mt -71.27 137.57 48.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.924 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 89.9 p -86.16 177.65 7.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -57.74 -48.63 79.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.8 m -61.47 -64.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.824 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 104' ' ' GLN . 33.0 mm-40 -49.74 -67.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.437 ' C ' ' O ' ' A' ' 103' ' ' GLN . 16.0 tp60 -34.47 -49.97 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 52.1 m -50.9 -64.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -51.01 -46.86 61.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.437 HD13 HD13 ' A' ' 99' ' ' LEU . 9.2 tt -49.8 -61.51 2.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 21.1 m-20 -49.84 -60.58 2.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 94.8 m -39.39 -36.83 0.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.154 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 111' ' ' LEU . 0.7 OUTLIER -76.79 -57.02 4.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.744 HD11 ' HB1' ' A' ' 128' ' ' ALA . 15.4 tp -37.48 -42.66 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.9 m -65.93 -51.84 55.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.142 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -49.1 -50.32 37.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 113' ' ' ALA . 14.0 t80 -36.04 -59.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 116' ' ' GLN . 12.1 mt -61.89 -57.58 11.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 115' ' ' LEU . 79.2 mt-30 -34.82 -34.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.927 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 115' ' ' LEU . 0.1 OUTLIER -93.54 -64.64 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -63.42 -65.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 60.4 m -97.88 105.56 17.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -134.92 111.13 9.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 85.63 36.13 10.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -151.89 166.83 30.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.572 ' O ' HG23 ' A' ' 123' ' ' VAL . 17.0 m -96.98 86.89 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 83.0 m -132.86 92.49 3.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 25.3 mm -89.31 -22.95 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 128' ' ' ALA . 56.7 mt -73.16 -51.51 17.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' A' ' 126' ' ' LEU . 5.9 m120 -36.69 -29.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.744 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -77.31 -61.94 1.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.073 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 72.1 p -43.03 -32.39 0.66 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -74.72 -37.93 62.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.496 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 38.7 t90 -72.96 -20.09 61.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 134' ' ' GLU . 39.4 t -80.95 -67.33 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.702 ' HA ' HD13 ' A' ' 65' ' ' LEU . 14.3 ptm180 -36.48 -31.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.844 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 132' ' ' VAL . 9.5 mt-10 -79.6 -61.43 2.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.496 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 13.9 m-70 -64.97 -55.07 21.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.801 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -33.93 -68.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.1 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 14.9 m -40.65 -41.78 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -65.41 -50.37 55.94 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.47 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -51.43 -48.54 62.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.904 0.383 . . . . 0.0 110.893 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 10.8 t -56.15 122.3 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.129 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.4 t -119.4 112.61 19.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.804 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -126.65 120.67 30.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -122.82 87.8 2.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 4.2 t -123.0 25.42 8.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.0 t -153.95 112.94 3.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 79.8 p -100.77 159.5 15.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 25.0 t -90.07 164.49 14.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 75.9 84.16 0.42 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 141.14 44.51 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.637 2.225 . . . . 0.0 112.344 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 68.5 m -103.41 135.75 44.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 5.4 t -110.89 142.48 42.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.478 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 m -132.49 92.76 3.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 0.0 110.855 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.0 m -114.03 162.43 16.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.26 119.81 0.86 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 m -84.88 150.94 24.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 p -78.31 147.87 34.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.805 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.61 52.83 0.61 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -75.6 -63.19 1.35 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.911 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 -40.82 -48.28 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.06 -40.19 30.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.072 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 12' ' ' ALA . 34.1 mt-10 -66.59 -51.52 55.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.507 ' O ' ' HB3' ' A' ' 15' ' ' ALA . . . -35.3 -65.25 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -47.8 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.505 HD11 ' HE2' ' A' ' 42' ' ' LYS . 31.5 tp -40.89 -51.77 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 12' ' ' ALA . . . -34.77 -67.53 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.129 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -47.78 -61.42 1.96 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.727 ' HA ' HD12 ' A' ' 20' ' ' LEU . 76.7 mt -41.34 -46.42 3.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -57.82 -43.95 86.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.1 tp -66.02 -46.1 79.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' A' ' 17' ' ' LEU . 9.0 mt -55.6 -63.34 1.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -36.52 -47.37 0.62 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 t -66.74 -44.29 81.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 62.4 mmm -55.21 -41.21 71.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.411 ' HA ' ' HD2' ' A' ' 25' ' ' PRO . 46.5 m-85 -103.26 100.35 17.64 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.624 0.726 . . . . 0.0 110.871 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 53.8 Cg_endo -69.78 -42.73 3.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.691 2.26 . . . . 0.0 112.341 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 29' ' ' GLU . . . 168.38 -116.0 0.64 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 26' ' ' GLY . 38.8 tt0 33.72 53.9 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 50.83 43.94 28.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 26' ' ' GLY . 47.8 mm-40 -91.37 -64.46 1.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.518 HD21 HG23 ' A' ' 32' ' ' VAL . 0.8 OUTLIER -134.48 139.32 45.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.921 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.514 HD13 ' ND2' ' A' ' 62' ' ' ASN . 5.1 mp -131.86 121.63 47.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.127 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.546 HG22 ' HB2' ' A' ' 59' ' ' PHE . 55.3 t -102.12 94.53 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -61.07 -52.85 63.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.514 ' O ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -75.03 133.47 41.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -123.96 -34.12 3.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -56.32 -63.52 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -38.05 -54.46 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.092 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.0 t -58.87 -56.01 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.95 -40.59 22.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -69.03 -43.81 73.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.0 tp -56.33 -52.43 64.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.505 ' HE2' HD11 ' A' ' 14' ' ' LEU . 11.0 mttm -58.43 -47.1 85.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -60.17 -39.88 87.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 78.0 m -54.21 -49.94 68.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.5 mt -56.93 -51.01 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -58.69 -49.5 77.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -70.39 -3.51 17.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 45.8 mttp 43.75 47.32 6.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.589 ' O ' HG23 ' A' ' 49' ' ' THR . 7.9 t -152.74 105.96 3.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.55 88.24 2.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -62.38 -55.07 31.49 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 140.7 91.48 0.19 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.476 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -52.2 135.45 32.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 110.876 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.0 t -105.96 -39.46 6.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.836 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.1 m -107.95 133.33 52.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.444 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 3.9 mtmp? -77.63 145.17 36.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.7 t -65.34 106.51 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -100.77 126.12 47.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.546 ' HB2' HG22 ' A' ' 32' ' ' VAL . 18.9 p90 -157.93 128.21 6.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.908 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 74.9 m -95.87 151.33 19.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.454 HG12 HD12 ' A' ' 30' ' ' LEU . 22.7 mt -124.5 116.66 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.514 ' ND2' HD13 ' A' ' 31' ' ' ILE . 84.8 m-20 -92.83 125.66 37.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 41.5 mtp -131.63 114.18 14.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -84.02 123.99 30.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.552 HD13 ' HA ' ' A' ' 133' ' ' ARG . 1.4 mt -143.74 148.01 35.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -75.34 134.67 40.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.623 HG23 ' N ' ' A' ' 68' ' ' SER . 34.4 m -107.31 -51.44 7.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.623 ' N ' HG23 ' A' ' 67' ' ' VAL . 2.4 m -174.52 177.23 2.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.0 t0 49.96 36.38 11.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 52.58 29.5 7.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -119.52 175.69 5.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.7 ptm -144.92 168.03 21.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.614 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -142.66 169.7 17.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.106 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.8 ttm -98.56 134.34 41.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -114.77 112.55 22.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 66.0 m -90.69 113.05 25.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.46 ' HG ' HG22 ' A' ' 94' ' ' VAL . 5.4 mp -103.56 95.97 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.664 ' HB3' ' HB ' ' A' ' 93' ' ' THR . . . -72.07 93.27 1.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.497 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 31.0 m -93.43 137.64 32.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.444 ' CG2' ' HB3' ' A' ' 56' ' ' LYS . 56.8 mt -139.46 123.41 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.413 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 59.4 mt -90.95 113.92 59.73 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.588 0.709 . . . . 0.0 110.972 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 81' ' ' LEU . 53.5 Cg_endo -69.8 178.29 4.74 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.391 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -90.88 26.92 1.94 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.859 ' HB2' HG22 ' A' ' 88' ' ' VAL . 4.9 mttt -126.74 -41.74 1.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.666 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 3.1 t80 -33.21 140.76 0.22 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.68 0.752 . . . . 0.0 110.904 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.666 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.78 -9.37 11.01 Favored 'Cis proline' 0 C--N 1.342 0.221 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.335 -0.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.482 ' HB3' ' C ' ' A' ' 84' ' ' LYS . . . -31.09 -70.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.099 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.859 HG22 ' HB2' ' A' ' 84' ' ' LYS . 8.2 m -112.41 128.87 68.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.2 mp -42.91 158.24 0.23 Allowed Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.633 0.73 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.596 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.85 -166.82 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.689 2.259 . . . . 0.0 112.321 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -131.98 73.93 1.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 25.1 mt -80.96 136.13 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.664 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 95.2 m -124.61 113.52 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.191 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.46 HG22 ' HG ' ' A' ' 77' ' ' LEU . 21.9 t -91.09 119.44 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -130.71 143.46 50.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 32.6 t -159.46 140.55 12.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.846 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.542 HG13 HD23 ' A' ' 98' ' ' LEU . 9.8 p -58.29 -30.25 39.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.614 HD11 ' CB ' ' A' ' 73' ' ' ALA . 13.0 mt -69.39 -55.32 10.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.423 ' CD1' ' OE1' ' A' ' 104' ' ' GLN . 8.0 mt -70.18 150.27 46.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.453 ' H ' ' CG ' ' A' ' 103' ' ' GLN . 3.4 m -104.72 160.84 14.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 34.3 ttp180 -49.26 -33.06 11.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 t -66.14 -69.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.453 ' CG ' ' H ' ' A' ' 100' ' ' SER . 0.8 OUTLIER -58.88 -52.15 66.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.952 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.423 ' OE1' ' CD1' ' A' ' 99' ' ' LEU . 28.3 tp60 -43.69 -45.07 6.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 51.3 m -58.23 -46.0 86.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.9 tp60 -61.6 -43.82 98.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.503 HD12 ' CD2' ' A' ' 139' ' ' TYR . 9.0 tt -58.81 -53.5 57.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -50.71 -59.62 3.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 58.4 m -43.61 -35.37 1.72 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.47 -50.12 14.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.706 HD11 ' HB1' ' A' ' 128' ' ' ALA . 27.3 tp -45.93 -47.43 16.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.954 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.0 m -66.19 -45.89 79.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.142 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.26 -49.74 68.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.134 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.52 ' CG ' ' CD1' ' A' ' 131' ' ' TRP . 3.9 t80 -41.21 -53.53 3.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 6.8 mt -66.02 -47.52 74.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -46.58 -21.63 0.2 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.426 ' HG3' ' CD2' ' A' ' 118' ' ' HIS . 13.8 tppt? -95.74 -64.71 1.03 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.426 ' CD2' ' HG3' ' A' ' 117' ' ' LYS . 30.5 m-70 -75.62 -66.55 0.76 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 62.7 m -83.56 94.42 8.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -136.88 130.88 32.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 70.7 35.62 66.86 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -154.89 -178.26 7.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 123' ' ' VAL . 35.3 m -111.51 104.4 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 7.5 m -152.69 104.99 2.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 28.7 mm -93.75 -55.07 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mt -42.91 -44.95 4.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -39.33 -38.78 0.57 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.706 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -70.3 -44.62 67.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.102 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 64.8 p -59.49 -36.0 75.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.127 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -75.9 -17.24 59.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.744 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 11.8 t90 -94.13 -18.2 22.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.506 HG23 HD13 ' A' ' 111' ' ' LEU . 41.6 t -86.62 -57.38 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.552 ' HA ' HD13 ' A' ' 65' ' ' LEU . 15.2 ptm180 -43.3 -29.79 0.45 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -85.95 -67.82 0.78 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.744 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 28.6 m-70 -51.55 -53.12 41.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.65 -69.77 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.057 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 136' ' ' ALA . 74.5 p -36.02 -43.03 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -59.73 -48.74 84.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.504 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.503 ' CD2' HD12 ' A' ' 107' ' ' LEU . 82.1 m-85 -62.96 -52.5 62.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.942 0.401 . . . . 0.0 110.939 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.476 HG11 ' HB ' ' A' ' 67' ' ' VAL . 78.9 t -42.21 103.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.161 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 1.9 m -129.3 146.14 51.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -136.76 141.38 42.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -166.12 116.78 1.0 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 40.1 p -82.53 89.85 6.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.176 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 36.6 t -118.3 81.48 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 27.1 p -168.62 150.23 4.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.902 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 37.7 t -145.9 140.14 26.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 53.9 70.09 1.04 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.513 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -40.15 5.78 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.721 2.281 . . . . 0.0 112.358 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 5.5 m -152.77 161.76 42.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 9.1 t -161.84 177.16 10.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.825 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -147.63 160.01 43.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.4 m -56.5 169.1 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.98 -52.16 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.54 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.0 p -137.13 119.35 15.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.834 0.35 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.2 t -85.86 -61.02 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.21 59.55 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -65.13 -25.37 67.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.793 0.33 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -47.03 -42.99 19.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.16 -42.69 86.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' ALA . 39.1 mt-10 -64.39 -54.54 31.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.655 ' O ' HG11 ' A' ' 123' ' ' VAL . . . -37.65 -39.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.09 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -74.35 -63.94 1.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.594 ' HA ' HD12 ' A' ' 17' ' ' LEU . 36.3 tp -45.92 -56.2 5.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.87 -53.61 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -60.25 -61.83 2.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 14' ' ' LEU . 13.5 mt -42.75 -54.0 4.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -51.43 -42.44 61.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.5 tp -66.54 -50.82 61.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 23' ' ' MET . 43.7 mt -50.8 -61.2 2.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -37.03 -42.11 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.1 m -79.92 -39.39 30.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 20' ' ' LEU . 73.7 mmm -50.38 -45.0 55.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.492 ' CB ' ' CD ' ' A' ' 29' ' ' GLU . 55.0 m-85 -104.47 93.39 5.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.665 0.745 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 53.9 Cg_endo -69.74 -31.17 21.12 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.283 . . . . 0.0 112.359 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -40.73 158.4 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -83.08 -47.52 11.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.889 0.376 . . . . 0.0 110.927 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -105.58 57.35 0.67 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.492 ' CD ' ' CB ' ' A' ' 24' ' ' PHE . 2.4 pp20? -117.22 -38.74 3.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.578 ' O ' HD23 ' A' ' 30' ' ' LEU . 1.6 tt -144.0 123.58 13.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mp -123.68 118.12 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.792 HG22 ' HB3' ' A' ' 59' ' ' PHE . 43.2 t -98.03 98.22 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.51 -44.97 81.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -78.32 98.56 5.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 32' ' ' VAL . 8.9 mp0 -88.78 -36.65 15.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 tp -59.04 -40.51 85.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.53 -38.95 69.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.058 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -82.19 -54.06 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.84 -43.88 39.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.111 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -68.18 -42.86 79.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 17.8 tp -56.36 -45.7 80.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.1 mttm -57.07 -51.06 70.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -58.32 -56.62 19.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.3 m -38.51 -49.11 1.47 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 80.6 mt -59.36 -57.76 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -50.28 -44.9 54.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -73.83 -25.2 59.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt 61.61 40.24 13.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.418 ' O ' HG23 ' A' ' 49' ' ' THR . 14.2 t -130.76 40.98 3.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -50.6 102.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -100.77 -33.67 10.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 145.54 100.15 0.28 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.473 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -52.72 168.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 110.836 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 t -134.28 21.67 3.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 17.8 m -147.51 123.71 10.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.829 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 mttp -79.7 136.49 36.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.2 t -70.03 101.63 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.529 ' HE1' ' HB1' ' A' ' 78' ' ' ALA . 18.6 t80 -106.9 119.04 38.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.953 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.792 ' HB3' HG22 ' A' ' 32' ' ' VAL . 21.0 p90 -149.45 130.16 14.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 96.9 m -97.69 148.5 23.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.421 HG22 ' HG3' ' A' ' 63' ' ' MET . 62.8 mt -122.99 120.22 59.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.083 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -92.53 110.39 21.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.421 ' HG3' HG22 ' A' ' 61' ' ' ILE . 39.2 mtp -117.44 115.24 24.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.445 ' N ' ' SD ' ' A' ' 74' ' ' MET . 25.1 p30 -86.7 115.07 23.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.447 ' CD1' ' HA ' ' A' ' 133' ' ' ARG . 0.4 OUTLIER -140.78 162.15 36.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -82.26 145.59 29.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.63 ' HB ' HG11 ' A' ' 140' ' ' VAL . 3.7 m -126.87 -47.91 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.4 t -166.0 179.22 5.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.828 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 70' ' ' GLU . 19.3 m-20 45.45 43.01 8.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.851 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 69' ' ' ASP . 13.5 tt0 37.06 36.01 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 45.3 mtpt -117.4 170.45 8.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.8 mtp -121.08 158.43 27.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.917 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -154.53 159.3 40.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.445 ' SD ' ' N ' ' A' ' 64' ' ' ASN . 1.6 tpt -96.95 151.22 19.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -126.91 131.66 51.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.4 t -96.31 112.23 24.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.838 ' HG ' HG22 ' A' ' 94' ' ' VAL . 5.2 mp -106.6 92.71 4.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.529 ' HB1' ' HE1' ' A' ' 58' ' ' TYR . . . -75.5 95.67 3.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.123 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 44.3 t -97.55 115.68 28.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 85.4 mt -113.29 125.7 70.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.516 HD11 HD21 ' A' ' 17' ' ' LEU . 35.6 mt -94.57 118.87 66.87 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.648 0.737 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -170.56 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.322 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -99.12 24.86 7.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.614 ' HB2' HG22 ' A' ' 88' ' ' VAL . 6.9 mttp -124.28 -38.6 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.678 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 3.0 t80 -33.88 140.89 0.24 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.686 0.755 . . . . 0.0 110.942 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.678 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.79 -10.23 11.45 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 -1.804 . . . . 0.0 112.331 -0.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.488 ' C ' ' O ' ' A' ' 86' ' ' PRO . . . -30.56 -72.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.085 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.614 HG22 ' HB2' ' A' ' 84' ' ' LYS . 2.9 m -109.0 127.58 65.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 29.2 mt -46.38 158.04 0.41 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.605 0.717 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.612 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.2 Cg_endo -69.81 -173.02 0.65 Allowed 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.725 2.283 . . . . 0.0 112.311 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -125.48 62.81 1.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 43.2 mt -68.51 135.02 29.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.113 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.8 m -125.95 98.94 5.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.161 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.838 HG22 ' HG ' ' A' ' 77' ' ' LEU . 75.8 t -76.13 133.75 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -145.02 158.02 43.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 23.1 t -169.34 121.46 0.74 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 53.6 t -41.79 -37.57 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.104 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.917 HD11 ' CB ' ' A' ' 73' ' ' ALA . 4.7 mt -56.02 -56.58 19.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 14.6 mt -58.83 178.52 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.948 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 102' ' ' SER . 49.2 m -122.83 140.12 53.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 100' ' ' SER . 15.0 tpt180 -35.95 -30.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 100' ' ' SER . 4.1 m -82.48 -56.19 4.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -52.11 -58.11 7.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.457 ' OE1' ' ND2' ' A' ' 108' ' ' ASN . 4.5 tp-100 -44.87 -49.32 10.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 57.7 m -41.01 -39.9 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -72.7 -42.06 64.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.517 HD22 ' HB ' ' A' ' 94' ' ' VAL . 10.3 tt -54.64 -54.21 44.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.457 ' ND2' ' OE1' ' A' ' 104' ' ' GLN . 16.0 m-80 -53.73 -60.92 2.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 85.5 m -38.59 -35.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 111' ' ' LEU . 1.8 m-20 -82.69 -54.17 5.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.747 HD13 ' CG2' ' A' ' 132' ' ' VAL . 12.6 tp -35.56 -62.44 0.4 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 113' ' ' ALA . 26.3 m -53.89 -58.4 7.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -37.13 -57.23 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.151 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 113' ' ' ALA . 5.7 t80 -36.96 -52.37 0.95 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.1 mt -66.05 -51.95 53.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -49.07 -19.94 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -87.42 -65.0 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -86.39 -66.62 0.88 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.821 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.45 ' SG ' ' CB ' ' A' ' 124' ' ' CYS . 98.2 m -76.43 90.23 3.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.1 t-160 -133.27 105.76 7.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.835 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 96.81 -0.42 60.86 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.535 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -121.38 158.59 27.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.655 HG11 ' O ' ' A' ' 12' ' ' ALA . 3.5 m -82.22 95.12 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.45 ' CB ' ' SG ' ' A' ' 119' ' ' CYS . 88.2 m -134.33 87.95 2.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 125' ' ' ILE . 18.6 mm -88.05 -39.92 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.27 -47.48 85.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -39.94 -32.34 0.15 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.415 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -75.08 -58.86 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.09 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 77.6 p -52.27 -21.38 3.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.132 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -88.11 -33.27 18.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.677 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 5.2 t90 -82.88 -18.25 40.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.747 ' CG2' HD13 ' A' ' 111' ' ' LEU . 19.5 t -87.04 -49.85 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.447 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 15.1 ptp180 -45.49 -25.89 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -95.19 -67.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.677 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 6.1 m-70 -44.24 -45.25 8.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.825 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -42.32 -66.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.05 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 19.8 t -53.77 -17.13 2.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -75.2 -25.09 69.48 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -94.77 -18.51 21.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.949 0.404 . . . . 0.0 110.965 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.63 HG11 ' HB ' ' A' ' 67' ' ' VAL . 5.4 t -89.59 0.22 8.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 10.8 m -78.01 -44.68 25.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.55 156.7 8.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -87.37 104.67 16.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 13.9 t -164.02 141.48 7.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.165 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.7 p -99.64 -42.73 6.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 58.7 m -54.49 -49.84 69.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 9.5 m -94.68 158.73 15.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . 0.445 ' N ' ' HD2' ' A' ' 149' ' ' PRO . . . 151.31 -60.98 0.41 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 148' ' ' GLY . 54.1 Cg_endo -69.72 -3.39 11.9 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.674 2.249 . . . . 0.0 112.346 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 32.2 m 61.43 50.28 4.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 25.4 m -85.84 -48.03 9.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 -179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.2 m -40.72 152.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.859 0.362 . . . . 0.0 110.851 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.8 p -108.67 105.54 15.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.88 165.25 15.08 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -57.82 139.7 53.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.344 . . . . 0.0 110.861 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -62.13 -45.49 93.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.32 59.07 11.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -86.77 -35.34 19.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 11' ' ' GLU . 1.1 tp-100 -51.73 -55.64 18.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' GLN . . . -34.95 -33.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 9' ' ' GLN . 41.1 mt-10 -75.91 -50.5 14.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.844 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.53 ' O ' HG11 ' A' ' 123' ' ' VAL . . . -35.23 -44.81 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -71.81 -46.61 57.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.694 HD11 ' HD2' ' A' ' 42' ' ' LYS . 58.6 tp -59.16 -57.05 14.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.84 -55.32 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.105 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -60.42 -60.53 3.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.915 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 63.0 mt -42.33 -51.57 4.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -52.86 -41.89 64.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.4 tp -68.85 -56.96 6.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 30.0 mt -41.76 -57.15 2.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.25 -41.73 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -78.49 -45.89 20.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 73.3 mmm -44.93 -39.1 5.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -107.94 77.67 0.69 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.654 0.74 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 26' ' ' GLY . 54.1 Cg_endo -69.74 -22.63 31.92 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.411 ' HA3' ' CG ' ' A' ' 29' ' ' GLU . . . -35.99 142.37 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.494 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -57.98 -41.86 83.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -129.32 45.29 2.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.411 ' CG ' ' HA3' ' A' ' 26' ' ' GLY . 14.0 mm-40 -89.67 -57.46 2.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.504 HD23 ' C ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -116.16 145.63 42.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.95 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mp -141.38 118.8 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.068 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.455 HG22 ' HB3' ' A' ' 59' ' ' PHE . 52.9 t -93.91 96.38 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -55.94 -52.35 64.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -86.32 86.59 7.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -66.81 -48.93 67.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 37' ' ' ALA . 9.8 tp -52.57 -46.72 67.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' LEU . . . -37.29 -43.89 0.56 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.054 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.794 HG12 ' HE2' ' A' ' 42' ' ' LYS . 99.5 t -76.08 -58.05 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -41.81 -46.37 3.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.092 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -62.6 -37.27 85.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.457 ' CD2' ' HB2' ' A' ' 14' ' ' LEU . 15.0 tp -55.55 -37.25 67.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.794 ' HE2' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -73.52 -54.3 8.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.856 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -46.85 -39.42 11.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.7 m -61.89 -52.99 61.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.0 mt -62.6 -50.23 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -57.76 -47.43 82.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -67.38 -24.12 65.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt 58.39 44.14 18.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.2 t -126.05 -26.72 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.125 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 18.1 mmt 54.63 50.42 15.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -47.01 -48.13 22.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.45 99.91 1.53 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.586 ' HG3' ' CD1' ' A' ' 83' ' ' PHE . 1.8 ptp85 -55.71 145.74 23.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.319 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.9 t -109.38 -35.61 6.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.5 m -98.43 103.68 15.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.403 ' HB3' HG23 ' A' ' 80' ' ' ILE . 1.5 mtmp? -50.74 154.85 1.28 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.8 t -83.18 103.54 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.425 ' HE1' ' HB1' ' A' ' 78' ' ' ALA . 16.8 t80 -112.6 113.5 25.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.606 ' CE2' ' SG ' ' A' ' 79' ' ' CYS . 9.9 p90 -133.71 126.45 30.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 30.6 m -89.28 137.1 32.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 74.0 mt -117.36 125.13 73.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.135 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -97.57 114.29 26.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.6 mtm -118.26 108.63 15.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -80.02 129.53 34.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.64 153.74 40.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -86.28 119.67 26.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.607 HG23 ' N ' ' A' ' 68' ' ' SER . 33.8 m -90.87 -50.49 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.607 ' N ' HG23 ' A' ' 67' ' ' VAL . 2.2 m -173.75 175.97 2.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 71' ' ' LYS . 49.7 m-20 47.06 53.34 10.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' ASP . 4.2 mm-40 38.23 27.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -116.76 173.84 6.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.5 ptm -145.45 -177.82 5.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.523 ' HB2' HD11 ' A' ' 98' ' ' LEU . . . -148.96 177.68 9.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 20.2 ttm -116.26 108.19 15.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -91.91 135.71 33.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 56.2 m -112.5 105.58 13.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.897 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.469 HD22 HG22 ' A' ' 129' ' ' THR . 7.8 mp -90.37 92.75 9.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.425 ' HB1' ' HE1' ' A' ' 58' ' ' TYR . . . -75.74 100.9 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.087 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.606 ' SG ' ' CE2' ' A' ' 59' ' ' PHE . 15.0 p -103.18 149.13 24.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.403 HG23 ' HB3' ' A' ' 56' ' ' LYS . 70.3 mt -140.51 110.89 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.133 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.432 HD23 ' HB3' ' A' ' 90' ' ' PRO . 61.4 mt -80.03 112.38 29.65 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.615 0.721 . . . . 0.0 110.887 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.408 ' HG3' HG23 ' A' ' 88' ' ' VAL . 53.7 Cg_endo -69.75 -178.91 2.56 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.761 2.308 . . . . 0.0 112.339 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.586 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 13.4 m-85 -90.27 27.04 1.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.722 ' HB2' HG22 ' A' ' 88' ' ' VAL . 1.1 mtpp -127.54 -42.92 1.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.698 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 3.2 t80 -28.27 141.34 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.68 0.752 . . . . 0.0 110.924 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.698 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.6 Cg_endo -69.81 -7.94 10.32 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.325 -0.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.532 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -30.32 -72.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.722 HG22 ' HB2' ' A' ' 84' ' ' LYS . 15.6 m -110.45 128.77 66.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.463 HD13 ' HB2' ' A' ' 115' ' ' LEU . 57.0 mt -48.04 156.06 0.79 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.609 0.719 . . . . 0.0 110.925 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.608 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.74 -179.85 3.19 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.257 . . . . 0.0 112.363 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -111.31 66.02 0.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.8 mt -70.95 125.79 29.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.132 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 89.4 m -123.18 103.73 8.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.41 HG22 ' HG ' ' A' ' 77' ' ' LEU . 37.5 t -76.82 131.94 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -134.38 143.04 47.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 37.4 t -164.66 127.31 2.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.829 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.529 HG23 HD23 ' A' ' 98' ' ' LEU . 33.3 m -52.5 -23.79 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.529 HD23 HG23 ' A' ' 97' ' ' VAL . 13.6 mt -73.83 -51.41 16.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.637 HD11 HD13 ' A' ' 107' ' ' LEU . 76.8 mt -63.71 135.15 56.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.6 t -82.32 171.98 13.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 54.9 mtp85 -55.43 -41.36 72.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.8 m -74.91 -64.64 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -42.0 -59.29 1.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -40.39 -52.65 2.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 90.1 m -47.65 -58.04 4.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.141 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 47.1 tp60 -52.38 -45.34 65.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.637 HD13 HD11 ' A' ' 99' ' ' LEU . 9.9 tt -54.27 -58.57 6.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -55.16 -60.49 3.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 75.4 m -40.44 -42.38 1.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -68.82 -55.42 11.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.573 HD11 ' HB1' ' A' ' 128' ' ' ALA . 13.7 tp -42.5 -55.52 3.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 75.7 m -56.27 -44.36 79.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -55.12 -49.4 71.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.096 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -38.89 -63.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.503 HD11 ' HB2' ' A' ' 128' ' ' ALA . 10.3 mt -58.13 -57.41 12.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.929 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 115' ' ' LEU . 33.6 mm-40 -34.79 -36.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.942 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 115' ' ' LEU . 6.7 ttmm -96.19 -65.14 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -51.82 -62.19 1.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.826 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.8 m -119.23 111.98 18.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -132.16 96.99 4.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 112.13 35.21 1.84 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.535 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -157.89 171.96 19.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 110.899 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 123' ' ' VAL . 34.0 m -99.89 94.4 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.429 ' HB3' ' CG ' ' A' ' 127' ' ' ASN . 64.0 m -134.79 56.58 1.84 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 90' ' ' PRO . 31.3 mm -57.73 -43.34 83.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 19.6 mt -52.8 -40.02 62.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.429 ' CG ' ' HB3' ' A' ' 124' ' ' CYS . 2.1 m-20 -55.63 -35.19 65.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.573 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -67.64 -52.22 40.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.469 HG22 HD22 ' A' ' 77' ' ' LEU . 69.0 p -58.81 -33.61 70.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.156 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -69.48 -17.68 63.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.661 ' CZ2' ' CE1' ' A' ' 135' ' ' HIS . 12.4 t90 -90.66 -26.05 19.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.482 ' CG2' HD22 ' A' ' 111' ' ' LEU . 70.9 t -84.97 -51.91 13.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 134' ' ' GLU . 22.3 ptt180 -38.5 -32.12 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.439 ' N ' ' HG3' ' A' ' 133' ' ' ARG . 49.5 tp10 -94.37 -67.58 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.661 ' CE1' ' CZ2' ' A' ' 131' ' ' TRP . 18.1 m-70 -43.51 -50.72 7.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -34.13 -69.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.3 m -43.97 -37.1 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -58.07 -54.6 36.23 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.405 ' CD2' HD12 ' A' ' 107' ' ' LEU . 92.3 m-85 -59.25 -48.38 81.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.932 0.396 . . . . 0.0 110.946 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.504 HG11 ' HB ' ' A' ' 67' ' ' VAL . 60.4 t -49.89 103.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.11 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 17.6 m -141.44 108.63 5.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.441 ' NH2' ' OD2' ' A' ' 69' ' ' ASP . 52.4 mtm180 -83.34 -46.21 12.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 142' ' ' ARG . 24.3 t70 35.02 40.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 9.2 t -95.99 33.85 1.64 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 96.9 p -137.97 150.0 46.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.7 t -100.04 41.46 1.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 88.5 p -159.85 163.85 34.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -78.2 -72.9 1.12 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.463 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 124.55 11.18 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.68 2.253 . . . . 0.0 112.316 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 98.3 p -141.73 148.27 38.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 62.2 m -143.14 130.91 21.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.556 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -160.04 129.95 5.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -48.48 -61.77 1.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.43 64.71 0.43 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.506 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.1 p -65.91 106.91 1.68 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.875 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 t -161.43 113.07 1.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.827 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.13 106.45 0.24 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.519 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -89.04 -16.13 32.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.769 0.319 . . . . 0.0 110.853 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -71.95 -41.58 67.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.2 -33.84 75.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -75.13 -42.72 55.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -42.49 -44.3 4.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -71.84 -57.73 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 15' ' ' ALA . 46.8 tp -44.59 -51.19 9.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.26 -58.99 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.089 179.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.433 ' OE1' HD23 ' A' ' 19' ' ' LEU . 6.6 tp10 -57.43 -64.71 0.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.64 HD21 HG11 ' A' ' 57' ' ' VAL . 83.9 mt -37.56 -40.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -65.25 -48.18 74.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.433 HD23 ' OE1' ' A' ' 16' ' ' GLU . 9.9 tp -60.19 -54.78 41.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 23' ' ' MET . 66.5 mt -47.93 -64.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.05 -44.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.11 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.1 m -71.02 -45.72 63.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 20' ' ' LEU . 83.8 mmm -56.68 -37.68 71.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.482 ' CE2' HG23 ' A' ' 61' ' ' ILE . 1.5 m-85 -107.2 99.73 28.87 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.644 0.735 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 24' ' ' PHE . 53.7 Cg_endo -69.71 -45.54 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.679 2.253 . . . . 0.0 112.323 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 29' ' ' GLU . . . 164.84 -120.52 0.94 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 26' ' ' GLY . 24.7 tt0 35.6 47.8 0.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 62.38 42.26 9.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 26' ' ' GLY . 45.2 mm-40 -95.48 -59.03 1.97 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.805 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.477 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -139.62 135.94 33.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.412 HD13 ' ND2' ' A' ' 62' ' ' ASN . 5.2 mp -135.09 132.67 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 1.4 p -111.45 126.42 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 59.9 m-20 -86.84 -42.15 13.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -96.32 86.82 4.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.22 -40.1 68.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mt -46.1 -52.45 12.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.549 ' HB1' HG22 ' A' ' 57' ' ' VAL . . . -37.67 -46.24 0.86 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 88.0 t -67.22 -56.16 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.65 -58.66 6.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -52.66 -40.73 63.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 58.4 tp -62.87 -41.92 99.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -64.07 -57.29 10.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -45.12 -42.31 8.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 1.4 t -55.32 -44.18 75.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.7 mt -76.64 -51.14 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -52.82 -41.67 64.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.589 ' HB3' HG22 ' A' ' 49' ' ' THR . 21.3 mtpp -88.93 14.65 10.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 47' ' ' LYS . 14.6 mttm 38.45 36.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.589 HG22 ' HB3' ' A' ' 47' ' ' LYS . 1.3 t -129.24 119.07 23.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.163 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.52 100.97 12.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -98.44 -42.18 7.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 125.08 130.37 3.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.516 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 53' ' ' ARG . 2.2 mpp_? -85.45 139.53 31.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 110.871 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.3 t -105.19 -42.47 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.6 m -88.45 113.35 23.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.9 mttt -63.0 139.93 58.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.854 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.64 HG11 HD21 ' A' ' 17' ' ' LEU . 67.5 t -65.39 95.64 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -100.55 114.58 28.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -147.16 126.66 13.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 83.9 m -96.69 148.18 23.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.482 HG23 ' CE2' ' A' ' 24' ' ' PHE . 97.5 mt -121.85 126.2 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.412 ' ND2' HD13 ' A' ' 31' ' ' ILE . 67.0 m-80 -96.43 133.7 40.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.403 ' HE1' ' O ' ' A' ' 129' ' ' THR . 16.4 mtm -144.52 110.81 5.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 34.7 p30 -82.74 130.25 35.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.456 ' CD1' ' HA ' ' A' ' 133' ' ' ARG . 0.5 OUTLIER -142.54 149.77 39.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.85 121.83 24.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.557 HG23 ' N ' ' A' ' 68' ' ' SER . 27.5 m -100.51 -48.85 11.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.125 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.557 ' N ' HG23 ' A' ' 67' ' ' VAL . 1.2 t -170.59 175.57 4.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 71' ' ' LYS . 1.7 m-20 45.08 53.28 7.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' ASP . 3.7 pt-20 36.95 29.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -118.85 171.39 8.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.2 ptm -145.31 165.08 29.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.585 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -138.83 161.95 36.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 12.7 ttm -94.75 123.74 38.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.707 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 8.9 m-85 -104.46 111.77 24.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.5 m -85.04 116.31 23.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.868 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.481 ' HG ' HG22 ' A' ' 94' ' ' VAL . 6.7 mp -102.88 94.11 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.34 98.13 3.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.151 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 41.9 t -98.47 139.32 34.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 89.9 mt -134.79 111.08 13.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.14 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.814 HD23 ' HB3' ' A' ' 90' ' ' PRO . 18.6 mt -91.3 113.0 56.96 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.545 0.688 . . . . 0.0 110.957 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 -173.32 0.69 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.649 2.233 . . . . 0.0 112.387 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -87.24 -10.47 52.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.853 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.814 ' HB2' HG22 ' A' ' 88' ' ' VAL . 1.2 mmpt? -80.42 -50.24 10.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.665 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.0 t80 -26.41 141.23 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.638 0.732 . . . . 0.0 110.944 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.665 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.5 Cg_endo -69.75 -13.01 12.34 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.315 -0.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.613 ' HB3' ' HB3' ' A' ' 84' ' ' LYS . . . -32.38 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.121 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.814 HG22 ' HB2' ' A' ' 84' ' ' LYS . 2.9 m -101.39 126.77 55.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.436 HD12 ' HG2' ' A' ' 116' ' ' GLN . 59.4 mt -51.68 157.26 1.96 Allowed Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.597 0.713 . . . . 0.0 110.923 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.814 ' HB3' HD23 ' A' ' 81' ' ' LEU . 53.9 Cg_endo -69.73 -167.67 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.745 2.297 . . . . 0.0 112.32 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -129.48 70.85 1.42 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 29.0 mt -77.97 126.67 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.114 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.563 HG22 ' HD2' ' A' ' 95' ' ' ARG . 25.8 m -122.34 105.41 10.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.116 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.481 HG22 ' HG ' ' A' ' 77' ' ' LEU . 33.2 t -73.83 127.29 35.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.094 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.563 ' HD2' HG22 ' A' ' 93' ' ' THR . 0.3 OUTLIER -122.01 149.61 43.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 28.5 t -167.53 133.43 2.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 34.8 m -64.56 -22.8 32.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.108 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.585 HD11 ' CB ' ' A' ' 73' ' ' ALA . 14.0 mt -77.2 -43.99 31.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.515 HD11 HD13 ' A' ' 107' ' ' LEU . 42.3 mt -64.53 144.08 57.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 47.4 p -91.93 168.9 11.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -56.61 -23.65 42.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.7 t -88.91 -63.67 1.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 104' ' ' GLN . 0.6 OUTLIER -45.4 -61.56 1.62 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.895 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.467 ' HA ' ' NE2' ' A' ' 104' ' ' GLN . 4.7 tp60 -35.83 -53.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 37.3 m -48.67 -66.31 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 17.0 tp60 -47.55 -47.5 28.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.663 HD11 ' HA ' ' A' ' 136' ' ' ALA . 10.5 tt -48.54 -57.25 6.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.936 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 21.1 m-80 -61.9 -43.3 99.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 57.8 m -42.98 -42.32 3.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -79.03 -44.75 21.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.482 HD11 ' HB1' ' A' ' 128' ' ' ALA . 13.5 tp -41.61 -38.58 1.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 98.2 m -74.69 -39.99 61.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -55.07 -60.79 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.107 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.428 ' CE2' ' ND2' ' A' ' 127' ' ' ASN . 25.6 t80 -37.28 -62.73 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 21.5 mt -53.92 -56.46 17.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.436 ' HG2' HD12 ' A' ' 89' ' ' LEU . 8.5 mm-40 -41.81 -27.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.7 tptp -95.79 -65.05 1.0 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -64.99 -64.29 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.844 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 6.3 t -88.48 99.31 12.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.6 t-160 -138.74 108.98 6.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 97.32 -19.97 52.63 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.482 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.04 170.99 7.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 0.0 110.839 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.686 ' O ' HG23 ' A' ' 123' ' ' VAL . 35.1 m -99.9 99.78 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 23.7 m -135.02 96.94 3.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.565 HD11 HD21 ' A' ' 81' ' ' LEU . 39.8 mm -94.48 -31.56 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.184 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 13.3 mt -65.36 -30.29 71.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.428 ' ND2' ' CE2' ' A' ' 114' ' ' PHE . 7.6 t30 -62.34 -21.14 65.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.482 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -81.78 -50.96 8.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.403 ' O ' ' HE1' ' A' ' 63' ' ' MET . 63.8 p -59.26 -35.91 74.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -72.5 -17.84 61.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.742 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 14.3 t90 -92.78 -30.93 15.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 134' ' ' GLU . 40.8 t -80.62 -52.46 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.456 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 1.9 ptm85 -36.61 -29.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 132' ' ' VAL . 34.3 tt0 -95.02 -53.62 3.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.742 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 19.1 m-70 -58.89 -54.68 44.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.707 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -33.35 -68.4 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.119 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.1 t -51.79 -41.71 61.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -51.64 -41.32 49.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.469 ' CZ ' ' HA ' ' A' ' 107' ' ' LEU . 71.3 m-85 -69.16 -45.73 69.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.947 0.403 . . . . 0.0 110.915 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 52.6 t -62.14 121.21 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 46.3 p -115.54 -51.14 2.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.833 ' O ' HG22 ' A' ' 144' ' ' THR . 2.3 tmm_? -154.86 107.04 2.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -49.18 108.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.833 HG22 ' O ' ' A' ' 142' ' ' ARG . 4.8 t -169.81 136.26 1.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 93.2 p -110.51 140.19 45.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 84.7 p -93.0 40.68 1.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 54.8 m -102.57 150.78 23.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 128.32 -158.04 21.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 149.95 68.02 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.721 2.281 . . . . 0.0 112.36 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 23.2 t -162.06 131.0 4.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 34.9 t -115.5 126.42 54.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.892 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.437 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 m -88.2 -62.8 1.41 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 0.0 110.852 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 p -57.17 131.53 50.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.94 154.3 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.515 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 m -158.47 139.39 12.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.4 p -97.11 165.45 12.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.832 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.06 93.31 0.46 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -40.85 -38.16 0.9 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.775 0.321 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.506 ' O ' ' HB3' ' A' ' 12' ' ' ALA . 21.0 tt0 -41.77 -52.18 4.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.7 -51.59 66.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -58.78 -31.7 68.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 9' ' ' GLN . . . -51.36 -48.65 62.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.103 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.448 ' NE2' ' NH2' ' A' ' 53' ' ' ARG . 17.9 mt-30 -64.45 -62.32 1.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.579 ' HA ' HD12 ' A' ' 17' ' ' LEU . 25.6 tp -46.13 -40.25 10.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.906 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.71 -65.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.404 ' HG2' ' N ' ' A' ' 17' ' ' LEU . 3.7 pt-20 -54.64 -39.2 67.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.648 HD21 HG11 ' A' ' 57' ' ' VAL . 26.3 mt -55.71 -40.55 72.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -70.36 -41.77 72.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.85 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.891 HD23 ' HG2' ' A' ' 23' ' ' MET . 2.5 tt -62.84 -57.93 9.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.1 mt -44.28 -57.17 3.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.04 -42.66 2.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 m -77.16 -42.65 36.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.891 ' HG2' HD23 ' A' ' 19' ' ' LEU . 89.9 mmm -53.77 -31.5 48.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -115.57 76.81 5.69 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.624 0.726 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -21.29 33.89 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.657 2.238 . . . . 0.0 112.319 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -50.48 150.67 5.54 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.465 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.73 -31.96 61.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.873 0.368 . . . . 0.0 110.924 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -122.6 45.02 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -104.86 -46.29 4.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.583 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -136.01 129.96 32.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.502 HD12 ' N ' ' A' ' 31' ' ' ILE . 4.3 mp -127.55 135.17 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -111.47 114.39 46.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 61.2 m-80 -75.26 -48.39 23.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -93.23 97.38 10.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -87.37 -45.78 10.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tp -44.92 -53.23 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -37.44 -52.44 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.093 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 65.5 t -63.25 -52.06 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -42.35 -46.12 4.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -61.5 -38.79 88.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.824 HD13 ' HD3' ' A' ' 53' ' ' ARG . 43.1 tp -59.11 -47.31 85.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.402 ' HD2' HD13 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -59.61 -55.97 27.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.838 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -51.51 -41.01 60.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 97.7 m -56.63 -54.64 43.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.0 mt -60.42 -51.82 68.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -55.38 -33.35 63.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -96.55 11.64 34.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.4 mttt 43.11 29.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.3 t -120.2 127.57 52.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.14 93.62 4.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -90.14 30.51 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' ARG . . . 48.59 94.06 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.509 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.824 ' HD3' HD13 ' A' ' 41' ' ' LEU . 23.7 mtm180 -36.07 148.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 t -117.86 -35.63 3.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.0 t -102.63 119.85 39.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.483 ' HB3' HG23 ' A' ' 80' ' ' ILE . 19.0 mtmt -70.27 138.41 51.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.912 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.648 HG11 HD21 ' A' ' 17' ' ' LEU . 60.9 t -68.66 95.47 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 14.5 t80 -94.8 110.98 22.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -140.96 129.29 22.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.877 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 42.8 m -93.95 146.29 24.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.158 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 40.4 mt -120.54 116.58 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -89.09 124.14 34.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 10.3 mtm -134.45 118.57 17.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.471 HD22 ' N ' ' A' ' 65' ' ' LEU . 0.1 OUTLIER -93.97 127.82 39.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.471 ' N ' HD22 ' A' ' 64' ' ' ASN . 0.6 OUTLIER -137.0 157.21 47.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.84 136.77 32.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.481 HG11 HG11 ' A' ' 140' ' ' VAL . 1.3 m -114.17 -47.11 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.136 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.1 p -174.94 -177.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 71' ' ' LYS . 7.2 m-20 47.06 47.52 15.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 38.85 27.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 69' ' ' ASP . 7.4 mtmt -116.85 179.8 3.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.444 ' HB2' ' ND2' ' A' ' 64' ' ' ASN . 8.1 ptm -151.34 156.84 41.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.12 167.34 14.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.401 ' SD ' ' N ' ' A' ' 75' ' ' PHE . 0.0 OUTLIER -107.69 121.92 45.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.401 ' N ' ' SD ' ' A' ' 74' ' ' MET . 4.2 m-85 -102.38 145.95 28.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 75.1 m -113.14 122.14 46.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.475 HD11 HG11 ' A' ' 132' ' ' VAL . 4.8 mp -109.62 94.51 5.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.913 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -76.98 103.28 6.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 46.4 t -103.87 142.64 34.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.483 HG23 ' HB3' ' A' ' 56' ' ' LYS . 59.2 mt -138.99 113.11 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.154 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.3 mt -85.54 115.74 62.72 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.597 0.713 . . . . 0.0 110.922 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -173.81 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.359 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.46 ' CE1' ' HG3' ' A' ' 56' ' ' LYS . 1.3 m-85 -86.31 -7.87 58.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.71 ' HB2' HG22 ' A' ' 88' ' ' VAL . 6.9 mttp -88.61 -46.01 9.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.735 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.0 OUTLIER -29.96 141.06 0.11 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.679 0.752 . . . . 0.0 110.925 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.735 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.6 Cg_endo -69.77 -6.05 9.22 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.335 -0.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.487 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -35.81 -76.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.71 HG22 ' HB2' ' A' ' 84' ' ' LYS . 3.2 m -99.99 128.3 52.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.191 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.8 mt -43.55 159.1 0.23 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.56 0.695 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.632 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.72 -169.07 0.3 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.669 2.246 . . . . 0.0 112.355 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -128.16 66.6 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.2 mt -72.1 146.59 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.152 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.538 HG22 ' HD2' ' A' ' 95' ' ' ARG . 11.1 m -142.93 104.97 4.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.719 HG21 HD21 ' A' ' 107' ' ' LEU . 3.1 t -77.6 127.87 38.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.128 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.538 ' HD2' HG22 ' A' ' 93' ' ' THR . 0.2 OUTLIER -123.47 145.45 48.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 t -175.07 137.46 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.824 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 7.9 p -74.43 -22.93 17.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.089 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.07 -44.06 90.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 18.7 mt -70.58 140.19 51.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.3 t -72.02 176.04 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 15.4 mtm-85 -58.51 -37.43 75.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.8 t -92.98 -50.64 5.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.818 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -49.95 -25.29 3.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -72.18 -72.11 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 5.8 t -44.78 -29.51 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -64.03 -41.21 97.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.719 HD21 HG21 ' A' ' 94' ' ' VAL . 2.3 tt -69.25 -34.42 74.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.453 ' OD1' HG23 ' A' ' 94' ' ' VAL . 83.4 m-20 -73.85 -56.56 4.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 36.0 m -44.99 -34.05 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 111' ' ' LEU . 4.3 t70 -80.86 -52.79 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.92 HD11 ' HB1' ' A' ' 128' ' ' ALA . 4.7 tp -35.12 -57.47 0.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 84.2 m -59.87 -49.91 75.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.176 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -45.2 -57.52 3.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.587 ' O ' ' CD2' ' A' ' 118' ' ' HIS . 31.8 t80 -34.34 -51.33 0.45 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 8.6 mt -67.28 -54.62 19.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -48.45 -21.39 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.72 -65.6 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.587 ' CD2' ' O ' ' A' ' 114' ' ' PHE . 4.3 p80 -103.89 -63.69 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.406 ' H ' ' CG ' ' A' ' 118' ' ' HIS . 87.0 m -70.72 96.34 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -155.9 105.94 2.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 138.71 -30.93 2.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.515 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.17 168.8 11.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.851 0.358 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.631 ' O ' HG23 ' A' ' 123' ' ' VAL . 27.1 m -64.45 102.67 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 25.8 p -126.22 80.69 1.94 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 15.9 mm -90.97 -57.14 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.124 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 129' ' ' THR . 12.4 mt -50.49 -53.52 29.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -38.32 -31.48 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.92 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -78.03 -42.68 31.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.483 ' N ' ' O ' ' A' ' 126' ' ' LEU . 23.1 p -65.54 -44.96 85.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -63.5 -15.49 58.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.73 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 14.7 t90 -94.48 -26.44 16.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.525 ' CG2' HD22 ' A' ' 111' ' ' LEU . 18.2 t -80.05 -46.18 22.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.439 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 8.4 ptm180 -55.38 -28.91 57.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -87.65 -64.62 1.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.73 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 15.6 m-70 -53.37 -46.65 69.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.485 ' HB2' ' O ' ' A' ' 132' ' ' VAL . . . -33.8 -71.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 10.1 p -42.44 -39.89 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -57.29 -49.07 75.53 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.494 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -63.81 -48.51 76.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 110.891 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.481 HG11 HG11 ' A' ' 67' ' ' VAL . 21.9 t -65.21 115.92 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 50.7 p -155.33 154.79 32.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 35.1 ttt85 44.81 36.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -55.3 -51.9 65.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 12.0 t 39.51 41.2 0.69 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 12.2 t -50.93 154.1 1.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.824 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 59.7 p -113.38 -42.84 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.843 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 50.6 p -97.26 156.07 16.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -146.87 101.55 0.24 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.437 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -37.7 8.82 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.682 2.255 . . . . 0.0 112.314 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 17.9 m -106.51 161.95 14.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 13.4 t -109.02 127.31 53.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.839 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.448 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 N-CA-C 112.435 -0.266 . . . . 0.0 112.435 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -86.14 -61.68 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 t -117.95 80.87 1.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.96 81.68 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.5 t 47.8 46.87 18.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.862 0.363 . . . . 0.0 110.823 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 t -75.65 146.09 40.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.2 -106.19 0.6 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.4 pm0 -49.97 -19.78 0.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.773 0.32 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -66.92 -42.19 85.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.477 ' HB2' HH21 ' A' ' 53' ' ' ARG . . . -61.16 -33.2 73.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' ALA . 33.8 mt-10 -78.22 -48.09 16.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . -36.62 -47.64 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.108 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 82' ' ' PRO . 51.6 mt-30 -67.06 -62.33 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 15' ' ' ALA . 38.4 tp -46.99 -59.4 3.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -36.24 -56.23 0.77 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -59.34 -50.89 72.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.63 HD21 HG11 ' A' ' 57' ' ' VAL . 30.7 mt -44.89 -56.69 4.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -49.88 -47.93 51.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.51 -56.3 18.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 23' ' ' MET . 22.9 mt -47.43 -61.6 1.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.989 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.97 -40.49 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.162 179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 m -74.33 -42.66 59.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' LEU . 92.0 mmm -60.03 -46.96 87.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -108.12 76.83 0.64 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.636 0.731 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -45.66 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.715 2.277 . . . . 0.0 112.342 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -43.6 120.76 3.15 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -47.73 -32.28 5.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.826 0.346 . . . . 0.0 110.888 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -85.98 -38.44 17.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.54 -43.15 35.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.536 HD21 HG23 ' A' ' 32' ' ' VAL . 1.4 tt -143.43 137.57 28.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.7 mp -133.61 116.94 25.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.536 HG23 HD21 ' A' ' 30' ' ' LEU . 76.6 t -96.54 93.88 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -65.51 -53.52 41.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.61 80.92 3.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -76.74 -46.53 24.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.529 ' C ' HD23 ' A' ' 36' ' ' LEU . 7.7 tt -44.44 -52.16 8.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -38.28 -52.88 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.079 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 92.6 t -58.79 -54.6 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -45.89 -46.94 16.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -65.87 -51.25 60.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.4 tp -43.5 -58.71 2.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 36.0 mttt -43.38 -39.46 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.952 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -69.66 -38.81 77.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 21.9 m -54.98 -43.06 73.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 40.3 mt -73.98 -52.43 20.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.416 ' C ' ' HE3' ' A' ' 47' ' ' LYS . 5.2 mm-40 -51.9 -50.47 61.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.717 ' HB3' HG22 ' A' ' 49' ' ' THR . 0.2 OUTLIER -75.27 4.94 6.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 47' ' ' LYS . 2.4 mmmp? 34.08 33.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.717 HG22 ' HB3' ' A' ' 47' ' ' LYS . 5.1 t -121.53 -34.11 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.148 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.453 ' C ' ' O ' ' A' ' 49' ' ' THR . 0.0 OUTLIER 33.4 53.63 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -47.58 -54.18 12.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -173.06 100.4 0.15 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.477 HH21 ' HB2' ' A' ' 10' ' ' ALA . 45.5 mtt85 -51.66 -37.42 50.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.924 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.7 m 38.08 32.66 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.4 p -147.36 106.34 3.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -78.06 110.97 13.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.63 HG11 HD21 ' A' ' 17' ' ' LEU . 91.5 t -55.95 97.65 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 29.4 t80 -100.16 120.49 39.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -150.71 120.02 6.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.3 m -89.98 145.66 24.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 90.5 mt -119.99 127.33 75.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.452 ' HB3' ' CE ' ' A' ' 74' ' ' MET . 83.3 m-20 -104.22 120.45 41.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 12.0 mtm -123.42 113.0 18.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -84.83 127.8 34.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -144.77 147.29 32.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -75.68 137.92 40.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.457 HG11 HG21 ' A' ' 140' ' ' VAL . 2.4 m -116.36 -47.48 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 78.6 p -174.2 -178.99 1.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 71' ' ' LYS . 3.4 t0 43.67 53.07 6.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.868 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 69' ' ' ASP . 8.0 tt0 35.44 32.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 69' ' ' ASP . 19.6 mtpp -122.92 177.67 5.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.931 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.4 ptm -147.2 156.35 42.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.866 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.601 ' HB1' HD23 ' A' ' 98' ' ' LEU . . . -127.06 161.58 28.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.119 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.452 ' CE ' ' HB3' ' A' ' 62' ' ' ASN . 2.2 tpt -101.74 131.19 48.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.565 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 7.2 m-85 -111.93 109.09 18.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 91.1 p -84.55 119.44 25.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.764 ' HG ' HG22 ' A' ' 94' ' ' VAL . 5.7 mp -107.81 93.01 4.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.97 97.08 1.8 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.0 m -96.43 141.94 29.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 81.2 mt -138.42 115.81 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.13 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 64.1 mt -88.33 110.01 33.05 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.577 0.703 . . . . 0.0 110.943 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.414 ' O ' ' NE2' ' A' ' 13' ' ' GLN . 53.4 Cg_endo -69.71 -174.83 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.664 2.242 . . . . 0.0 112.345 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -95.68 26.01 4.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.68 ' HB2' HG22 ' A' ' 88' ' ' VAL . 0.6 OUTLIER -121.48 -42.74 2.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.658 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.4 t80 -31.14 140.53 0.15 Allowed Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.655 0.74 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.658 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.7 Cg_endo -69.71 -9.51 10.95 Favored 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.379 -0.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.477 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -31.71 -74.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.076 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.68 HG22 ' HB2' ' A' ' 84' ' ' LYS . 3.1 m -106.29 127.45 61.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.126 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 mp -50.5 157.08 1.33 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.578 0.704 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.605 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.7 Cg_endo -69.82 172.9 11.85 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.251 . . . . 0.0 112.357 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -111.77 77.85 1.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.424 HG21 HD23 ' A' ' 77' ' ' LEU . 39.9 mt -83.5 138.01 19.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.115 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 22.1 m -132.75 114.34 14.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.174 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.764 HG22 ' HG ' ' A' ' 77' ' ' LEU . 13.3 t -89.13 135.18 26.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -134.34 143.17 47.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 29.6 t -158.67 126.17 5.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.444 HG22 HD22 ' A' ' 98' ' ' LEU . 5.6 m -67.15 -14.91 18.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.146 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.601 HD23 ' HB1' ' A' ' 73' ' ' ALA . 2.0 mm? -84.39 -27.84 27.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.43 HD21 ' HB3' ' A' ' 139' ' ' TYR . 13.9 mt -76.44 -178.59 4.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 101' ' ' ARG . 17.1 t -123.76 143.75 50.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 100' ' ' SER . 0.2 OUTLIER -35.9 -39.41 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.89 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -73.51 -61.14 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 139' ' ' TYR . 37.0 mt-30 -51.23 -59.39 4.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -40.52 -61.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 85.1 m -45.31 -60.98 1.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.124 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.7 tp60 -45.49 -50.09 13.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.495 HD12 ' CD2' ' A' ' 139' ' ' TYR . 10.1 tt -52.36 -51.93 56.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -55.71 -64.0 0.99 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 78.2 m -39.67 -48.16 2.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 111' ' ' LEU . 15.0 m-20 -65.88 -55.88 14.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.844 HD13 HG23 ' A' ' 132' ' ' VAL . 29.5 tp -34.5 -56.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 93.9 m -55.92 -50.91 69.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -50.33 -57.07 8.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 113' ' ' ALA . 2.8 t80 -34.39 -47.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' A' ' 128' ' ' ALA . 15.3 mt -70.42 -54.8 10.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -46.78 -22.88 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.566 ' HG3' ' CD2' ' A' ' 118' ' ' HIS . 0.2 OUTLIER -81.69 -65.44 1.01 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.566 ' CD2' ' HG3' ' A' ' 117' ' ' LYS . 68.7 m-70 -87.26 -60.74 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.2 t -77.51 98.72 5.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -141.16 122.75 15.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 74.37 28.66 63.37 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -143.25 -176.25 4.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.66 ' O ' HG23 ' A' ' 123' ' ' VAL . 27.7 m -116.72 94.38 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 3.9 m -142.5 105.11 4.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 34.0 mm -95.82 -51.97 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 127' ' ' ASN . 54.9 mt -41.8 -55.74 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' A' ' 126' ' ' LEU . 5.5 m120 -37.53 -45.82 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.455 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -61.48 -60.92 2.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.093 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 69.4 p -45.42 -41.8 9.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.175 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -62.98 -57.52 10.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.517 ' CE3' ' O ' ' A' ' 131' ' ' TRP . 16.5 t90 -52.35 -16.63 0.9 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.844 HG23 HD13 ' A' ' 111' ' ' LEU . 20.0 t -90.78 -46.17 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.505 ' O ' ' NE ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -59.22 -17.76 30.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -94.4 -47.22 6.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.443 ' O ' ' C ' ' A' ' 136' ' ' ALA . 3.7 m-70 -72.66 -53.05 12.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.565 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -34.06 -65.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.11 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.4 p -38.96 -45.68 1.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.806 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -62.8 -41.91 99.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.479 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.495 ' CD2' HD12 ' A' ' 107' ' ' LEU . 40.9 m-85 -60.95 -48.05 83.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.963 0.411 . . . . 0.0 110.892 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.457 HG21 HG11 ' A' ' 67' ' ' VAL . 46.7 t -57.58 119.99 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.177 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 5.8 t -156.27 139.19 15.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.802 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 21.1 ttt85 -109.05 150.02 28.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -101.58 -56.58 2.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 12.6 t -72.61 160.04 32.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 43.5 t -124.71 -49.71 1.75 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 3.7 t -126.56 140.52 52.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 19.1 m -102.72 -48.7 4.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 68.48 146.19 0.15 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.463 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 164.37 34.77 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.717 2.278 . . . . 0.0 112.353 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 1.2 t -119.78 91.98 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 32.7 t -70.99 -47.56 58.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.483 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p -82.37 176.65 9.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.878 0.371 . . . . 0.0 110.87 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -110.57 169.45 8.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.01 -73.35 0.87 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.4 t -160.49 143.14 13.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 110.838 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -100.97 -46.97 4.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.04 64.69 1.35 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.532 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.64 -44.66 66.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.808 0.337 . . . . 0.0 110.91 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -42.32 -42.23 3.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.27 -48.13 79.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -66.01 -39.61 90.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -41.02 -50.89 3.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -74.01 -46.71 41.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.441 HD13 ' HG3' ' A' ' 42' ' ' LYS . 44.5 tp -53.11 -64.65 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.96 -52.85 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -54.14 -53.03 58.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.565 HD21 HG11 ' A' ' 57' ' ' VAL . 86.2 mt -55.0 -51.84 65.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.41 ' OD1' ' C ' ' A' ' 18' ' ' ASP . 7.2 t0 -55.55 -48.33 74.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' LEU . 4.4 tt -56.41 -64.14 0.96 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 19' ' ' LEU . 29.0 mt -35.41 -52.58 0.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.94 -46.96 5.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.091 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 93.4 p -67.57 -44.33 78.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.712 ' HE2' HD21 ' A' ' 126' ' ' LEU . 41.4 mmm -57.16 -37.67 72.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -107.86 73.24 0.41 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.571 0.7 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 26' ' ' GLY . 53.8 Cg_endo -69.75 -30.79 21.77 Favored 'Trans proline' 0 N--CA 1.466 -0.139 0 C-N-CA 122.697 2.265 . . . . 0.0 112.367 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' PRO . . . -36.8 147.72 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.469 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -69.1 -32.55 72.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -126.84 46.71 2.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -104.8 -39.31 6.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.501 HD23 ' C ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -141.01 144.81 35.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.437 HD13 ' ND2' ' A' ' 62' ' ' ASN . 5.3 mp -142.61 119.99 6.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.444 HG22 ' HB2' ' A' ' 59' ' ' PHE . 68.3 t -96.49 95.51 4.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -63.35 -51.2 66.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.43 ' OD2' ' HB3' ' A' ' 37' ' ' ALA . 0.2 OUTLIER -71.93 117.24 13.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -110.22 -35.71 6.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 24.4 tp -54.59 -66.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.43 ' HB3' ' OD2' ' A' ' 34' ' ' ASP . . . -38.88 -46.36 1.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.6 t -67.21 -47.67 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.34 -51.3 62.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -64.53 -51.1 64.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.571 HD13 ' NE ' ' A' ' 53' ' ' ARG . 29.2 tp -46.6 -55.6 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.441 ' HG3' HD13 ' A' ' 14' ' ' LEU . 10.4 mtpp -60.88 -49.0 79.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -52.89 -38.35 61.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 63.0 m -59.16 -57.85 11.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.7 mt -47.26 -54.81 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -58.73 -46.83 86.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -66.06 -21.4 66.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.8 mttt 55.78 39.11 30.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.91 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.3 t -121.3 -21.36 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.468 ' CE ' ' HA ' ' A' ' 50' ' ' MET . 0.0 OUTLIER 47.7 46.54 18.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -43.34 -49.2 6.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 139.69 133.34 3.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.584 ' HB2' ' CE2' ' A' ' 83' ' ' PHE . 12.6 mmt-85 -51.85 156.53 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.818 0.342 . . . . 0.0 110.828 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -111.09 -38.97 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 t -147.61 168.6 21.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.832 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.535 ' HB3' HG23 ' A' ' 80' ' ' ILE . 42.3 mttm -81.84 133.06 35.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.565 HG11 HD21 ' A' ' 17' ' ' LEU . 98.9 t -61.5 108.76 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.469 ' HE1' ' HB1' ' A' ' 78' ' ' ALA . 13.8 t80 -109.32 125.08 51.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.444 ' HB2' HG22 ' A' ' 32' ' ' VAL . 7.1 p90 -153.36 118.61 5.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.4 m -90.28 141.35 28.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 64.4 mt -117.28 125.06 73.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.437 ' ND2' HD13 ' A' ' 31' ' ' ILE . 83.2 m-20 -98.84 114.36 26.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 51.1 mtp -115.74 129.39 56.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -97.09 122.6 40.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 133' ' ' ARG . 1.6 mt -145.46 159.3 43.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.32 128.59 35.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.552 HG21 HD13 ' A' ' 98' ' ' LEU . 30.6 m -103.74 -48.59 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.543 ' N ' HG23 ' A' ' 67' ' ' VAL . 1.3 t -174.67 175.98 2.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' LYS . 3.7 m-20 47.4 48.28 16.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 40.27 26.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 69' ' ' ASP . 19.6 mtmm -112.47 165.52 12.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.7 mtp -124.3 -174.29 2.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.592 ' HB2' HD11 ' A' ' 98' ' ' LEU . . . -165.83 170.22 14.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 54.5 mtp -106.27 123.77 48.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.558 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 10.3 m-85 -101.07 105.07 16.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.808 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.6 m -82.23 120.09 24.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.463 ' HG ' HG22 ' A' ' 94' ' ' VAL . 5.4 mp -113.79 93.32 4.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.469 ' HB1' ' HE1' ' A' ' 58' ' ' TYR . . . -74.34 95.39 2.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.426 ' HB3' ' CE1' ' A' ' 59' ' ' PHE . 36.5 t -93.93 128.41 40.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.535 HG23 ' HB3' ' A' ' 56' ' ' LYS . 75.0 mt -128.43 109.15 18.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.687 HD23 ' HB3' ' A' ' 90' ' ' PRO . 16.1 mt -82.55 119.77 75.33 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.622 0.725 . . . . 0.0 110.911 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -173.36 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.739 2.292 . . . . 0.0 112.328 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.584 ' CE2' ' HB2' ' A' ' 53' ' ' ARG . 3.8 m-30 -89.74 3.9 51.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.754 ' HB2' HG22 ' A' ' 88' ' ' VAL . 13.7 mmtp -100.4 -47.24 4.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.95 ' CE2' HG12 ' A' ' 123' ' ' VAL . 1.2 t80 -27.46 141.26 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.655 0.741 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.72 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.6 Cg_endo -69.74 -7.12 9.76 Favored 'Cis proline' 0 C--N 1.341 0.151 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.362 -0.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.456 ' HB3' ' HB3' ' A' ' 84' ' ' LYS . . . -35.42 -76.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.126 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.754 HG22 ' HB2' ' A' ' 84' ' ' LYS . 2.8 m -101.99 130.6 51.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 115' ' ' LEU . 0.9 OUTLIER -45.12 158.07 0.31 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.727 . . . . 0.0 110.881 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.687 ' HB3' HD23 ' A' ' 81' ' ' LEU . 53.6 Cg_endo -69.82 -165.06 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.667 2.244 . . . . 0.0 112.296 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -133.12 67.91 1.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.2 mt -75.75 122.17 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.5 m -112.3 100.07 8.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.463 HG22 ' HG ' ' A' ' 77' ' ' LEU . 39.0 t -73.38 130.02 35.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 78.2 mtt-85 -138.12 141.45 40.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.513 ' HB3' HD12 ' A' ' 99' ' ' LEU . 38.1 t -152.65 139.0 18.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 74.4 t -61.99 -37.91 79.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.128 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.592 HD11 ' HB2' ' A' ' 73' ' ' ALA . 15.2 mt -67.34 -52.61 38.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.513 HD12 ' HB3' ' A' ' 96' ' ' SER . 41.8 mt -53.85 169.2 0.16 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.906 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.2 t -111.92 138.76 48.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.1 ttt-85 -38.12 -40.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.6 m -73.89 -54.93 6.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' A' ' 104' ' ' GLN . 14.9 mm100 -54.74 -64.76 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 103' ' ' GLN . 4.5 tp60 -34.92 -49.94 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 49.2 m -45.5 -63.37 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.15 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -42.93 -47.33 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.785 HD12 ' CD2' ' A' ' 139' ' ' TYR . 9.1 tt -57.11 -39.6 75.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -64.27 -65.1 0.72 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 91.6 m -41.86 -38.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -76.7 -47.38 22.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.462 ' HB2' ' CZ3' ' A' ' 131' ' ' TRP . 8.7 tp -48.36 -59.62 3.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 113' ' ' ALA . 12.0 m -54.5 -61.28 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 112' ' ' THR . . . -35.19 -57.84 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.061 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.432 ' CE2' ' CE1' ' A' ' 118' ' ' HIS . 12.6 t80 -38.2 -49.49 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.734 HD11 ' HB2' ' A' ' 128' ' ' ALA . 17.3 mt -66.91 -54.67 19.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -45.88 -33.26 3.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.472 ' N ' ' HE2' ' A' ' 117' ' ' LYS . 0.5 OUTLIER -87.9 -64.08 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.432 ' CE1' ' CE2' ' A' ' 114' ' ' PHE . 11.3 m-70 -52.45 -66.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 3.6 t -106.69 111.82 24.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -133.75 85.28 2.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 144.6 -26.31 1.96 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -112.5 -176.65 2.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.825 0.345 . . . . 0.0 110.918 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.95 HG12 ' CE2' ' A' ' 85' ' ' TYR . 2.8 m -102.21 111.12 30.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.497 ' SG ' ' ND2' ' A' ' 127' ' ' ASN . 1.8 t -134.86 88.52 2.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 40.7 mm -89.4 -45.02 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.141 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.712 HD21 ' HE2' ' A' ' 23' ' ' MET . 11.9 mt -51.65 -59.71 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.497 ' ND2' ' SG ' ' A' ' 124' ' ' CYS . 2.1 m-80 -35.9 -37.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.734 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -67.58 -50.39 58.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.424 ' N ' ' O ' ' A' ' 126' ' ' LEU . 74.7 p -60.87 -33.08 72.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -78.66 -17.23 56.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.688 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 11.2 t90 -89.64 -18.07 27.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.89 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 134' ' ' GLU . 17.8 t -89.68 -56.64 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.146 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.491 ' HA ' HD13 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -40.7 -24.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 132' ' ' VAL . 5.3 tm-20 -94.57 -58.07 2.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.688 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 18.9 m-70 -56.99 -52.73 64.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.558 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -33.89 -66.08 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 136' ' ' ALA . 84.3 p -36.02 -45.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -59.3 -57.46 19.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.499 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.785 ' CD2' HD12 ' A' ' 107' ' ' LEU . 81.1 m-85 -55.72 -52.16 64.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.945 0.403 . . . . 0.0 110.885 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.529 HG11 ' HB ' ' A' ' 67' ' ' VAL . 58.7 t -48.49 109.29 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 6.5 m -112.39 157.24 21.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.403 ' O ' HG23 ' A' ' 144' ' ' THR . 24.0 ptt180 -101.27 -44.15 5.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.831 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 38.8 t70 39.91 44.83 1.46 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 142' ' ' ARG . 75.5 p -99.98 95.81 7.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 93.7 p -112.62 138.76 48.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 60.0 p -59.91 147.9 36.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 29.2 t -68.04 -42.95 79.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.865 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 91.3 83.59 1.44 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.484 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 95.4 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 52.0 m -146.93 151.18 36.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.9 m -86.81 -45.78 10.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 t -58.89 148.66 29.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.39 . . . . 0.0 110.799 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -54.6 170.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.49 81.06 0.27 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 t -59.25 97.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 110.869 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 p -91.42 81.64 5.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.76 43.03 1.73 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.531 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -70.61 -63.4 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.759 0.314 . . . . 0.0 110.866 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -40.34 -46.33 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -51.66 -42.7 62.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.097 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -64.01 -50.04 70.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -39.88 -62.14 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.067 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -51.01 -54.6 23.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 15' ' ' ALA . 26.9 tp -52.12 -66.43 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.71 -46.63 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.586 ' OE1' HD12 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -58.34 -52.27 66.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.5 mt -47.77 -53.66 14.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -49.95 -48.46 51.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 tt -51.49 -55.02 21.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.586 HD12 ' OE1' ' A' ' 16' ' ' GLU . 70.2 mt -53.51 -65.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -35.34 -36.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.2 m -78.58 -42.36 29.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.502 ' N ' ' O ' ' A' ' 20' ' ' LEU . 60.6 mmm -63.23 -42.2 99.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.911 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.427 ' N ' ' CD1' ' A' ' 24' ' ' PHE . 4.9 m-85 -110.09 82.2 2.45 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.684 0.754 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -45.8 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.313 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -46.07 109.07 0.3 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.473 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -41.41 -27.98 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.885 0.374 . . . . 0.0 110.846 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.9 m-80 -84.57 -42.4 15.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -44.85 -40.11 5.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.517 ' C ' HD12 ' A' ' 31' ' ' ILE . 1.4 tt -144.6 145.14 31.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.517 HD12 ' C ' ' A' ' 30' ' ' LEU . 4.7 mp -142.38 118.25 5.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.133 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.56 HG22 ' CB ' ' A' ' 59' ' ' PHE . 67.2 t -98.9 96.42 5.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -66.14 -54.67 22.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -73.4 91.24 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -83.28 -45.62 13.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.09 -50.91 34.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.16 -42.86 3.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 81.3 t -70.67 -57.68 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -43.26 -48.03 6.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -59.28 -43.58 92.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.8 tp -58.68 -40.94 84.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.5 mttm -66.67 -62.07 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -43.14 -40.89 3.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 4.8 m -57.17 -54.91 41.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.2 mt -64.76 -50.02 77.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -51.87 -48.16 64.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -80.22 12.85 2.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.9 mttt 43.39 43.49 4.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.4 t -140.81 145.01 35.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.1 mmt -129.55 88.63 2.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -78.45 -46.15 20.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 131.31 94.73 0.65 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.52 ' HG2' ' CD1' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -66.12 148.46 51.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 0.0 110.852 -179.844 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 t -121.12 21.16 11.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.1 t -122.69 125.05 44.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.451 ' HG3' ' CE2' ' A' ' 83' ' ' PHE . 20.8 mttp -84.81 127.78 34.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.937 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.3 t -65.98 112.12 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 18.7 t80 -115.57 127.88 55.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.56 ' CB ' HG22 ' A' ' 32' ' ' VAL . 37.5 p90 -155.75 118.6 4.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 32.3 m -89.8 143.96 26.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.132 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 75.3 mt -117.05 128.84 74.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.441 ' HB3' ' CE ' ' A' ' 74' ' ' MET . 82.6 m-20 -100.46 113.71 26.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 58.3 mtp -117.33 111.51 19.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -84.35 107.62 16.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.664 HD13 ' HA ' ' A' ' 133' ' ' ARG . 1.7 mt -134.47 162.44 32.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -73.76 141.38 46.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.617 HG11 HD12 ' A' ' 98' ' ' LEU . 29.9 m -116.07 -53.07 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.121 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.613 ' N ' HG23 ' A' ' 67' ' ' VAL . 1.8 m -175.34 175.7 2.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.508 ' OD1' ' CG ' ' A' ' 71' ' ' LYS . 1.1 p30 52.08 25.03 2.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 62.01 28.17 17.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.508 ' CG ' ' OD1' ' A' ' 69' ' ' ASP . 0.7 OUTLIER -116.27 156.52 26.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.875 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.9 mtp -112.11 164.96 12.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.732 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -158.03 155.92 30.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.441 ' CE ' ' HB3' ' A' ' 62' ' ' ASN . 51.5 ttm -84.76 144.45 28.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.924 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -119.25 114.18 22.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.5 m -85.03 118.78 24.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.528 ' HG ' HG22 ' A' ' 94' ' ' VAL . 5.2 mp -114.27 92.9 4.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.33 95.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 16.2 m -96.85 113.34 24.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 65.6 mt -115.4 110.47 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.449 HD23 ' HB3' ' A' ' 90' ' ' PRO . 34.2 mt -82.84 118.34 71.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.606 0.717 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -175.38 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.629 2.219 . . . . 0.0 112.314 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.52 ' CD1' ' HG2' ' A' ' 53' ' ' ARG . 72.8 m-85 -95.56 26.42 3.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.782 ' HB2' HG22 ' A' ' 88' ' ' VAL . 8.1 mttt -125.21 -41.51 2.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.675 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 3.0 t80 -30.76 141.35 0.13 Allowed Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.696 0.76 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.675 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.5 Cg_endo -69.77 -8.75 10.7 Favored 'Cis proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.353 -0.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.492 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -30.79 -73.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.095 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.782 HG22 ' HB2' ' A' ' 84' ' ' LYS . 10.0 m -109.58 129.0 65.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.542 HD13 ' OE1' ' A' ' 116' ' ' GLN . 7.4 mp -46.8 156.58 0.52 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.642 0.734 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.606 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.2 Cg_endo -69.71 -176.75 1.57 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.659 2.239 . . . . 0.0 112.364 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -116.88 58.56 0.77 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.7 mt -66.24 124.64 21.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.3 m -121.5 101.95 7.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.528 HG22 ' HG ' ' A' ' 77' ' ' LEU . 50.4 t -75.42 115.07 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.164 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -124.47 132.57 53.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.854 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.522 ' HB3' HD12 ' A' ' 99' ' ' LEU . 33.0 t -144.67 112.08 6.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' SER . 27.1 m -35.06 -35.4 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.072 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.732 HD11 ' CB ' ' A' ' 73' ' ' ALA . 27.7 mt -62.04 -56.43 19.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.623 HD21 HG13 ' A' ' 140' ' ' VAL . 5.8 mt -70.96 144.71 50.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.467 ' H ' ' CG ' ' A' ' 103' ' ' GLN . 11.4 t -97.1 150.53 20.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.836 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.464 ' CZ ' ' HB2' ' A' ' 101' ' ' ARG . 20.9 mtm105 -42.76 -23.75 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 100' ' ' SER . 1.9 t -71.92 -54.8 8.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.467 ' CG ' ' H ' ' A' ' 100' ' ' SER . 0.7 OUTLIER -77.98 -47.2 19.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.437 ' HA ' ' NE2' ' A' ' 104' ' ' GLN . 6.3 tp60 -43.15 -62.57 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 1.4 t -43.55 -36.6 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -61.89 -49.91 74.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.534 ' C ' HD23 ' A' ' 107' ' ' LEU . 5.5 tt -61.04 -34.5 74.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -69.72 -58.09 4.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.4 m -43.43 -25.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 111' ' ' LEU . 47.3 t0 -93.69 -54.95 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.561 HD11 ' HB1' ' A' ' 128' ' ' ALA . 12.8 tp -36.12 -44.5 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.7 m -69.44 -48.55 60.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.01 -41.23 59.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.401 ' CE1' ' CG ' ' A' ' 118' ' ' HIS . 4.1 t80 -47.4 -57.37 5.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.535 ' HB2' HD23 ' A' ' 89' ' ' LEU . 18.3 mt -63.23 -48.84 76.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.542 ' OE1' HD13 ' A' ' 89' ' ' LEU . 15.7 mm-40 -39.13 -38.15 0.46 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -93.92 -62.5 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.401 ' CG ' ' CE1' ' A' ' 114' ' ' PHE . 27.3 m-70 -52.14 -60.0 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.793 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 37.1 t -117.5 106.14 12.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 6.7 t-160 -130.19 84.5 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 124.9 30.93 0.91 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.451 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -156.54 178.55 10.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.812 0.339 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.688 ' O ' HG23 ' A' ' 123' ' ' VAL . 35.0 m -100.6 98.4 6.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.8 t -134.63 95.84 3.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.836 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 49.6 mm -96.06 -38.86 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 128' ' ' ALA . 9.1 mt -58.6 -57.71 11.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.443 ' C ' ' O ' ' A' ' 126' ' ' LEU . 3.8 m-20 -35.15 -32.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.561 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -69.45 -58.86 3.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.111 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 72.3 p -51.29 -38.96 55.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.53 -21.66 64.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.699 ' CZ2' ' CE1' ' A' ' 135' ' ' HIS . 34.5 t90 -87.45 -20.2 26.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 134' ' ' GLU . 81.5 t -82.37 -62.3 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.146 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.664 ' HA ' HD13 ' A' ' 65' ' ' LEU . 33.8 ptt180 -37.65 -28.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 132' ' ' VAL . 41.1 tt0 -87.13 -64.19 1.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.699 ' CE1' ' CZ2' ' A' ' 131' ' ' TRP . 8.2 m-70 -55.41 -52.74 62.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.521 ' O ' HG22 ' A' ' 140' ' ' VAL . . . -38.06 -66.77 0.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.422 ' HA ' HG23 ' A' ' 140' ' ' VAL . 91.3 p -46.2 -29.65 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -70.9 -43.51 58.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.517 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -67.19 -31.36 71.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.941 0.4 . . . . 0.0 110.935 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.623 HG13 HD21 ' A' ' 99' ' ' LEU . 0.0 OUTLIER -94.86 111.79 26.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.114 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 2.0 t -155.18 150.2 26.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.415 ' NH1' ' HB3' ' A' ' 142' ' ' ARG . 14.0 ttp-105 -42.77 141.61 1.04 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -108.84 52.68 0.7 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.836 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 90.1 m -112.56 121.66 45.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 19.3 m -95.28 -64.27 1.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 84.5 p -46.65 142.37 3.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 70.6 m -86.99 95.5 9.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 108.19 141.15 9.56 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.484 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 113.83 3.5 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.255 . . . . 0.0 112.32 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 151' ' ' SER . 37.8 t -84.92 125.27 32.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 150' ' ' SER . 4.9 m -35.48 123.08 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.459 -179.958 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -61.95 123.3 17.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.891 0.377 . . . . 0.0 110.885 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -69.98 -42.62 72.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.74 122.42 3.23 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.2 p -161.84 153.93 19.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 110.885 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.0 m -111.54 -54.64 2.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.39 79.07 1.43 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.03 -16.17 60.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.784 0.326 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -65.75 -46.18 79.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.944 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.77 -38.96 76.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.067 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 12' ' ' ALA . 37.5 mt-10 -70.98 -51.9 22.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . -36.31 -65.54 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -49.87 -52.4 33.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.62 HD22 HD12 ' A' ' 45' ' ' ILE . 47.4 tp -49.24 -64.27 0.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -36.22 -45.52 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -63.16 -59.31 4.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.465 HD21 HD12 ' A' ' 81' ' ' LEU . 19.5 mt -48.35 -53.37 17.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -50.06 -41.19 47.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.8 tp -67.68 -51.33 50.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 29.9 mt -50.97 -60.3 3.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -37.13 -39.92 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t -79.92 -43.23 22.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 95.9 mmm -52.71 -16.08 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -126.61 83.29 65.22 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.619 0.723 . . . . 0.0 110.907 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 26' ' ' GLY . 54.0 Cg_endo -69.75 -39.0 7.05 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' PRO . . . -35.43 131.05 0.69 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -63.28 -20.47 65.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.874 0.368 . . . . 0.0 110.907 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -132.09 43.11 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -102.09 -52.77 3.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.48 HD23 ' C ' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -125.28 140.01 53.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.2 mp -134.4 118.02 25.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 35' ' ' GLN . 55.8 t -91.41 94.31 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.163 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -49.15 -59.82 3.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.458 ' OD2' ' HB2' ' A' ' 37' ' ' ALA . 9.4 t0 -83.04 48.21 1.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.428 ' N ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -41.99 -42.94 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 37' ' ' ALA . 5.2 tp -52.19 -47.28 65.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.458 ' HB2' ' OD2' ' A' ' 34' ' ' ASP . . . -37.28 -53.82 1.07 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.071 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.583 HG12 ' HD2' ' A' ' 42' ' ' LYS . 58.6 t -57.74 -45.78 86.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.092 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.2 -51.08 57.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -58.39 -55.21 37.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.852 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.432 ' CD1' ' HD2' ' A' ' 53' ' ' ARG . 28.6 tp -49.74 -40.26 40.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.849 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.583 ' HD2' HG12 ' A' ' 38' ' ' VAL . 31.8 mttt -64.38 -47.54 78.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -62.66 -35.93 81.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 7.5 m -60.17 -48.68 80.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.62 HD12 HD22 ' A' ' 14' ' ' LEU . 58.1 mt -61.72 -60.24 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -50.82 -51.21 53.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.46 ' HB3' HG22 ' A' ' 49' ' ' THR . 9.6 mtpm? -70.32 -2.23 12.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt 44.71 44.45 7.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.888 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.6 ' O ' HG23 ' A' ' 49' ' ' THR . 10.9 t -154.5 112.53 3.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 18.8 mmt -78.93 85.92 4.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -56.72 -40.23 75.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 130.1 77.18 0.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.432 ' HD2' ' CD1' ' A' ' 41' ' ' LEU . 23.0 mtp85 -44.55 123.47 3.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.83 0.348 . . . . 0.0 110.871 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.9 m -114.53 39.73 2.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.0 m -168.24 129.34 1.35 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -82.89 135.89 34.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.0 t -66.7 99.4 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.092 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.422 ' HE1' ' HB1' ' A' ' 78' ' ' ALA . 21.5 t80 -105.56 119.37 38.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -141.01 134.94 30.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 54.7 m -106.29 132.51 52.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.138 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 58.3 mt -106.43 130.35 58.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.404 ' HB3' ' CE ' ' A' ' 74' ' ' MET . 68.2 m-80 -101.66 114.96 29.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 70.3 mtp -120.44 123.97 44.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 64' ' ' ASN . 0.6 OUTLIER -98.91 114.29 26.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.647 HD13 ' HA ' ' A' ' 133' ' ' ARG . 0.5 OUTLIER -128.87 145.79 51.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.03 127.25 32.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.612 HG23 ' N ' ' A' ' 68' ' ' SER . 33.6 m -99.94 -50.88 10.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.121 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.612 ' N ' HG23 ' A' ' 67' ' ' VAL . 1.8 m -173.13 174.88 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 47.5 50.54 14.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 41.02 30.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -123.84 162.8 22.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.427 ' HE2' ' HB2' ' A' ' 64' ' ' ASN . 5.6 ptm -134.13 171.37 14.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -138.78 165.54 26.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.071 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.404 ' CE ' ' HB3' ' A' ' 62' ' ' ASN . 3.2 tpt -93.94 118.73 31.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -105.15 119.4 38.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.8 m -98.63 128.2 44.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.571 HD21 HG21 ' A' ' 132' ' ' VAL . 6.7 mp -116.18 93.54 4.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.917 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.422 ' HB1' ' HE1' ' A' ' 58' ' ' TYR . . . -74.16 101.12 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 42.3 t -109.9 124.39 51.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 67.0 mt -113.49 133.04 60.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.465 HD12 HD21 ' A' ' 17' ' ' LEU . 54.2 mt -104.42 107.98 59.25 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.594 0.712 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -177.49 1.9 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.723 2.282 . . . . 0.0 112.364 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -92.67 26.85 2.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.615 ' HD2' HG11 ' A' ' 88' ' ' VAL . 7.4 mttt -119.63 -47.15 2.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.694 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.1 t80 -28.25 140.43 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.684 0.754 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.694 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.3 Cg_endo -69.75 -8.01 10.27 Favored 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.288 -0.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.48 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -33.48 -74.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.089 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.615 HG11 ' HD2' ' A' ' 84' ' ' LYS . 2.3 m -104.36 129.96 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.1 mt -52.99 154.09 5.51 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.62 0.724 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.631 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.7 Cg_endo -69.78 176.24 7.05 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.511 ' CG ' ' O ' ' A' ' 91' ' ' GLU . 1.0 OUTLIER -112.18 83.81 1.86 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 36.6 mt -89.35 124.55 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.7 m -123.78 104.26 8.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.475 ' O ' ' CG ' ' A' ' 104' ' ' GLN . 21.9 t -75.45 126.21 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -137.22 140.56 41.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.853 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.5 t -157.54 137.34 12.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.824 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.582 HG23 ' CD2' ' A' ' 98' ' ' LEU . 27.7 m -59.32 -31.39 46.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.582 ' CD2' HG23 ' A' ' 97' ' ' VAL . 1.5 mm? -66.04 -55.48 16.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 39.3 mt -63.41 154.68 31.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.8 t -88.06 155.8 19.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -48.23 -39.24 20.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.0 m -77.99 -55.67 5.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.443 ' O ' ' C ' ' A' ' 104' ' ' GLN . 51.3 mt-30 -50.15 -62.99 1.25 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.489 ' O ' ' ND2' ' A' ' 108' ' ' ASN . 4.3 tp60 -34.7 -53.85 0.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.417 ' HA ' ' OD1' ' A' ' 108' ' ' ASN . 92.8 m -51.6 -58.5 6.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 9.4 tp60 -42.13 -39.13 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.502 HD23 ' N ' ' A' ' 108' ' ' ASN . 10.3 tt -64.53 -73.13 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.502 ' N ' HD23 ' A' ' 107' ' ' LEU . 0.9 OUTLIER -45.2 -41.09 7.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 93.3 m -48.94 -37.1 19.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.105 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -87.81 -36.93 16.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.765 HD11 ' HB1' ' A' ' 128' ' ' ALA . 7.0 tp -48.21 -44.07 32.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 113' ' ' ALA . 91.5 m -67.48 -60.02 2.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 112' ' ' THR . . . -36.63 -45.96 0.55 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -44.59 -54.74 5.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 116' ' ' GLN . 11.4 mt -64.08 -50.32 68.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 115' ' ' LEU . 90.3 mt-30 -35.47 -38.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.02 -61.65 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -59.12 -62.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 12.7 m -100.69 104.61 15.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -131.23 97.64 4.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 93.77 33.5 7.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.439 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.79 -179.22 6.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.571 ' O ' HG23 ' A' ' 123' ' ' VAL . 33.3 m -113.19 112.65 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 1.8 m -162.06 105.16 1.17 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 46.5 mm -95.4 -50.61 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.154 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 127' ' ' ASN . 20.8 mt -44.62 -55.39 5.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 126' ' ' LEU . 16.5 m-80 -34.44 -40.14 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.765 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -69.31 -52.14 30.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 67.2 p -53.95 -27.47 31.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.117 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -78.06 -23.81 47.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.599 ' CE3' ' O ' ' A' ' 131' ' ' TRP . 32.8 t90 -85.8 -12.76 50.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.979 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.651 ' CG2' HD22 ' A' ' 111' ' ' LEU . 71.1 t -92.33 -56.3 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.174 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.647 ' HA ' HD13 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -48.61 -19.28 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -94.43 -64.42 1.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 138' ' ' GLY . 5.9 m-70 -55.33 -47.82 75.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -34.7 -70.62 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.11 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.438 ' HA ' HG23 ' A' ' 140' ' ' VAL . 86.2 p -39.95 -34.95 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.816 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -60.78 -54.07 40.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -57.94 -45.78 86.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.933 0.397 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.438 HG23 ' HA ' ' A' ' 137' ' ' SER . 0.0 OUTLIER -76.5 120.01 25.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.132 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 19.6 t -147.17 127.67 14.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 19.5 mmm-85 57.91 48.5 13.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -41.95 -48.57 4.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.9 t -38.27 149.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.185 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.5 -25.14 17.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 7.3 t 45.23 47.36 10.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 62.3 p -102.38 -57.08 2.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 121.93 148.97 7.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.507 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -2.35 9.97 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.743 2.295 . . . . 0.0 112.34 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 68.1 m -48.85 104.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.848 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.2 t 62.81 45.82 5.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.862 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.453 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.0 m -135.46 107.47 7.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.857 0.36 . . . . 0.0 110.858 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 t -87.89 -63.31 1.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.94 82.76 1.29 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.475 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 p -100.71 130.57 46.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.903 0.382 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -101.0 -36.34 9.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.446 ' HA3' ' HE2' ' A' ' 50' ' ' MET . . . -92.93 60.93 2.32 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -49.91 -54.24 20.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.775 0.321 . . . . 0.0 110.911 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 12' ' ' ALA . 43.2 mt-30 -44.16 -67.17 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.411 ' HB2' ' HE3' ' A' ' 50' ' ' MET . . . -37.99 -39.07 0.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.075 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -75.19 -37.93 61.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 9' ' ' GLN . . . -48.56 -50.42 32.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.069 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -65.21 -62.1 1.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.546 ' HA ' HD12 ' A' ' 17' ' ' LEU . 46.9 tp -40.97 -62.91 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.05 -52.42 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -57.16 -51.4 69.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 14' ' ' LEU . 41.1 mt -51.02 -64.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -36.31 -49.36 0.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 tt -55.12 -60.53 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' MET . 22.4 mt -42.44 -64.7 0.56 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.41 -41.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 m -73.99 -44.38 54.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 20' ' ' LEU . 39.7 mmm -60.34 -39.11 85.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -109.47 81.83 1.94 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -42.17 3.56 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.709 2.272 . . . . 0.0 112.309 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.57 132.25 26.46 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.476 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 28' ' ' ASN . 2.4 pm0 -56.75 -34.04 67.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.877 0.37 . . . . 0.0 110.868 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.438 ' HA ' HD11 ' A' ' 31' ' ' ILE . 16.4 t-20 -83.51 -38.83 21.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -38.65 -47.79 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.592 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -142.24 128.84 20.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.468 ' CD1' ' ND2' ' A' ' 62' ' ' ASN . 5.3 mp -124.7 119.1 55.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 45.1 t -96.05 105.98 17.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.072 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.508 ' HB2' ' CD2' ' A' ' 58' ' ' TYR . 55.8 m-80 -73.46 -48.15 35.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -84.77 88.73 7.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.7 mm-40 -76.6 -41.78 44.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.98 -54.12 39.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -41.81 -61.94 1.0 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.104 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.424 ' CG1' ' HE3' ' A' ' 42' ' ' LYS . 93.9 t -49.52 -57.09 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.35 -40.73 50.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -62.1 -41.95 98.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.1 tp -54.22 -51.66 63.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.424 ' HE3' ' CG1' ' A' ' 38' ' ' VAL . 0.1 OUTLIER -56.59 -51.38 68.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.813 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -57.65 -42.93 84.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.457 ' O ' ' N ' ' A' ' 48' ' ' LYS . 3.5 t -52.3 -56.53 14.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.937 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 23.0 mt -50.78 -58.72 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -53.65 -39.45 65.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -78.84 -20.32 49.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 44' ' ' CYS . 26.0 mtmt 44.29 48.82 7.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.6 t -124.07 -17.09 6.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.446 ' HE2' ' HA3' ' A' ' 7' ' ' GLY . 0.0 OUTLIER 43.06 51.49 5.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.936 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -108.15 -30.13 8.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.47 ' O ' ' C ' ' A' ' 53' ' ' ARG . . . -60.71 -97.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.447 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.582 ' HB3' ' CD1' ' A' ' 83' ' ' PHE . 7.3 mmt85 30.87 42.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 110.885 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 52' ' ' GLY . 6.4 t -82.46 -39.84 21.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.2 m -118.12 144.59 45.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -79.8 145.18 32.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.4 t -73.64 97.84 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.508 ' CD2' ' HB2' ' A' ' 33' ' ' ASN . 24.3 t80 -100.5 123.32 44.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -150.41 127.34 11.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.1 m -94.2 146.13 24.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 96.0 mt -122.24 124.57 71.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.468 ' ND2' ' CD1' ' A' ' 31' ' ' ILE . 72.0 m-80 -97.18 123.49 40.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.942 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 26.6 mtm -129.88 116.04 18.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -83.9 134.21 34.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.82 152.48 41.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -75.54 77.58 2.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.727 HG13 ' H ' ' A' ' 68' ' ' SER . 0.4 OUTLIER -51.03 -71.68 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.727 ' H ' HG13 ' A' ' 67' ' ' VAL . 6.1 t -174.09 -179.62 1.71 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 56.91 50.18 12.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 42.98 30.13 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.875 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -137.19 173.31 11.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.547 ' HA ' HG12 ' A' ' 67' ' ' VAL . 3.6 ptm -132.45 156.99 45.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.725 ' HB2' HD11 ' A' ' 98' ' ' LEU . . . -126.58 171.19 11.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 68.6 mtp -112.95 131.43 55.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.916 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 10.7 m-85 -110.3 116.55 31.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 72.8 p -88.9 113.74 24.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.479 HD11 HG11 ' A' ' 132' ' ' VAL . 5.0 mp -102.23 96.01 6.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.84 93.63 2.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.061 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 60.1 m -91.19 140.36 29.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 78.3 mt -140.53 115.52 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.636 HD21 HD11 ' A' ' 125' ' ' ILE . 76.2 mt -88.28 119.84 70.36 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.627 0.727 . . . . 0.0 110.921 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.492 ' HG3' HG23 ' A' ' 88' ' ' VAL . 54.0 Cg_endo -69.73 -175.27 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.691 2.261 . . . . 0.0 112.361 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.582 ' CD1' ' HB3' ' A' ' 53' ' ' ARG . 27.2 m-85 -99.06 27.34 5.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.57 ' HB2' HG22 ' A' ' 88' ' ' VAL . 1.8 mtpp -128.65 -39.28 1.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.687 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.6 t80 -28.32 141.39 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.659 0.742 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.687 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.7 Cg_endo -69.79 -8.89 10.8 Favored 'Cis proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.714 -1.786 . . . . 0.0 112.356 -0.061 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.54 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -30.87 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.57 HG22 ' HB2' ' A' ' 84' ' ' LYS . 4.3 m -104.43 127.21 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.439 HD11 ' HA ' ' A' ' 116' ' ' GLN . 28.1 mt -46.59 158.67 0.39 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.595 0.712 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.612 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.1 Cg_endo -69.73 178.71 4.28 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.642 2.228 . . . . 0.0 112.343 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -119.78 68.92 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 69.8 mt -75.9 131.63 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.152 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.44 HG22 ' HD3' ' A' ' 95' ' ' ARG . 30.6 m -125.01 98.08 5.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.538 ' HB ' HD22 ' A' ' 107' ' ' LEU . 4.8 t -73.51 132.07 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.44 ' HD3' HG22 ' A' ' 93' ' ' THR . 13.7 mmm180 -130.63 155.19 46.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.529 ' HB3' HD12 ' A' ' 99' ' ' LEU . 34.8 t -171.54 124.1 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.401 ' CG1' ' N ' ' A' ' 98' ' ' LEU . 1.9 p -56.65 -37.97 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.091 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.725 HD11 ' HB2' ' A' ' 73' ' ' ALA . 22.3 mt -60.51 -47.22 87.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' A' ' 96' ' ' SER . 19.7 mt -59.97 153.54 21.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.5 m -94.3 174.87 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -58.22 -42.74 86.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 17.1 m -75.62 -61.27 1.97 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -42.33 -65.25 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -39.8 -53.05 2.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 28.9 m -49.39 -63.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -41.0 -51.97 3.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.569 ' C ' HD23 ' A' ' 107' ' ' LEU . 8.1 tt -52.28 -58.56 6.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -42.09 -49.34 4.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 54.9 m -63.45 -47.97 79.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 111' ' ' LEU . 6.7 m-20 -56.81 -59.88 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.577 HD13 HG23 ' A' ' 132' ' ' VAL . 18.2 tp -36.44 -57.49 0.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 60.3 m -51.54 -53.86 33.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -41.6 -57.66 2.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.537 ' CZ ' ' OD1' ' A' ' 127' ' ' ASN . 22.4 t80 -38.92 -57.01 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 117' ' ' LYS . 49.1 mt -61.47 -53.81 51.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.439 ' HA ' HD11 ' A' ' 89' ' ' LEU . 54.9 mt-30 -36.06 -32.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 115' ' ' LEU . 9.6 ttmt -99.08 -64.23 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -51.8 -51.46 56.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.803 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 8.6 t -120.77 105.55 10.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -130.73 78.31 1.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.821 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 119.87 27.44 2.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -147.05 175.75 10.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.825 0.345 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.564 ' HA ' ' CE2' ' A' ' 85' ' ' TYR . 34.5 m -105.27 115.15 46.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 5.2 m -160.92 105.76 1.38 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.636 HD11 HD21 ' A' ' 81' ' ' LEU . 19.5 mm -93.85 -44.16 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.134 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 22.6 mt -52.8 -47.73 67.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.537 ' OD1' ' CZ ' ' A' ' 114' ' ' PHE . 8.5 t-20 -44.61 -28.95 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.488 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -82.88 -45.31 14.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 59.5 p -61.25 -27.12 68.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -81.34 -17.99 47.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.921 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.577 ' CE3' ' O ' ' A' ' 131' ' ' TRP . 8.5 t90 -93.26 -14.68 26.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.577 HG23 HD13 ' A' ' 111' ' ' LEU . 21.1 t -94.01 -57.49 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 132' ' ' VAL . 6.6 ptm180 -36.74 -29.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 132' ' ' VAL . 32.7 tt0 -90.67 -54.7 3.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.453 ' O ' ' C ' ' A' ' 136' ' ' ALA . 23.4 m-70 -62.92 -55.55 24.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.916 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -33.89 -68.04 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.065 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.3 m -51.44 -38.26 52.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -55.64 -47.97 74.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.505 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.568 ' CD2' HD12 ' A' ' 107' ' ' LEU . 68.8 m-85 -56.96 -53.59 56.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.917 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.48 HG11 ' CG2' ' A' ' 67' ' ' VAL . 89.5 t -42.93 115.72 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 6.8 m -121.79 34.71 5.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.822 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.51 ' HG2' HG22 ' A' ' 144' ' ' THR . 28.0 ttm180 -111.39 101.12 9.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -103.42 46.5 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.51 HG22 ' HG2' ' A' ' 142' ' ' ARG . 11.2 t -123.43 149.91 44.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 64.0 p -138.64 146.29 41.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 58.9 m -116.08 150.95 36.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.822 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 2.9 m -169.57 159.41 8.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 175.58 128.55 1.12 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.436 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -5.65 16.71 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.665 2.243 . . . . 0.0 112.361 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 14.8 t -65.65 139.78 58.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 39.0 m -102.7 -49.71 3.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.883 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.2 p -89.59 157.01 18.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 110.855 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 m -108.42 89.64 3.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.08 -171.58 12.48 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.4 p -130.03 148.3 51.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.886 0.374 . . . . 0.0 110.852 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -57.67 150.07 20.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.83 99.0 2.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.456 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.96 -57.1 14.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.762 0.315 . . . . 0.0 110.875 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -42.94 -58.57 2.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -41.41 -40.44 1.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -75.72 -41.03 54.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -44.74 -48.97 10.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.144 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -68.81 -61.4 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.87 ' HA ' HD12 ' A' ' 17' ' ' LEU . 19.0 tp -44.96 -62.53 1.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.3 -62.82 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.061 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -49.8 -55.25 14.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.87 HD12 ' HA ' ' A' ' 14' ' ' LEU . 20.0 mt -43.78 -54.17 5.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -53.49 -41.67 66.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.434 HD11 ' SD ' ' A' ' 23' ' ' MET . 10.7 tp -65.94 -50.98 62.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.966 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.7 mt -46.48 -52.32 13.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.05 -45.81 1.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.043 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -79.7 -35.79 38.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.434 ' SD ' HD11 ' A' ' 19' ' ' LEU . 82.4 mmm -52.51 -34.38 49.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -110.84 77.0 1.28 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.617 0.722 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' GLY . 53.7 Cg_endo -69.74 -31.79 19.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.685 2.257 . . . . 0.0 112.323 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' PRO . . . -38.12 151.86 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.478 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -74.55 128.63 36.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.877 0.37 . . . . 0.0 110.824 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 43.5 m-80 57.19 43.36 24.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -86.58 -69.25 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.531 HD21 HG23 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -103.59 135.86 44.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.37 120.26 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.531 HG23 HD21 ' A' ' 30' ' ' LEU . 86.5 t -100.0 94.34 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -62.9 -45.81 90.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -85.23 58.61 5.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -56.0 -42.26 76.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.966 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.5 tp -55.11 -49.57 71.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.469 ' HB1' ' O ' ' A' ' 55' ' ' SER . . . -42.45 -53.35 4.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.152 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.49 HG12 ' NZ ' ' A' ' 42' ' ' LYS . 25.9 t -61.41 -41.12 88.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.6 -45.84 84.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.09 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -60.06 -38.92 84.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.601 HD23 ' HB2' ' A' ' 14' ' ' LEU . 14.7 tp -52.83 -48.9 66.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.49 ' NZ ' HG12 ' A' ' 38' ' ' VAL . 0.8 OUTLIER -54.08 -58.73 6.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.827 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -42.42 -47.51 5.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.872 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 74.5 m -54.31 -49.96 68.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.82 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 24.2 mt -61.58 -55.63 23.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -52.08 -48.78 64.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.42 ' HB3' HG22 ' A' ' 49' ' ' THR . 32.2 mttp -74.62 -8.23 55.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.4 mttp 38.91 43.48 0.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.42 HG22 ' HB3' ' A' ' 47' ' ' LYS . 2.9 t -119.54 -15.12 9.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 47.17 49.62 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -48.9 -57.58 6.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 138.87 129.31 2.65 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.524 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.515 ' HG2' ' CE1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -104.23 148.57 26.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.788 0.328 . . . . 0.0 110.907 -179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.2 t -118.64 -18.68 8.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.787 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.469 ' O ' ' HB1' ' A' ' 37' ' ' ALA . 19.1 m -94.18 102.27 14.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.481 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 29.0 mttt -63.8 128.86 37.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 45.4 t -56.0 97.19 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.149 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -103.39 123.15 46.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.402 ' CB ' HG22 ' A' ' 32' ' ' VAL . 25.0 p90 -149.69 132.08 15.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 82.4 m -100.38 140.4 34.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 65.2 mt -113.49 129.58 69.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.486 ' C ' ' HE3' ' A' ' 74' ' ' MET . 77.2 m-20 -106.33 114.07 27.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.49 ' N ' ' HE3' ' A' ' 74' ' ' MET . 26.6 mtp -117.64 114.16 22.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -80.55 110.84 16.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.666 HD13 ' HA ' ' A' ' 133' ' ' ARG . 0.4 OUTLIER -138.57 162.44 34.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -73.01 147.82 44.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.928 ' HB ' HG11 ' A' ' 140' ' ' VAL . 23.3 m -125.23 -50.11 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.553 ' N ' HG23 ' A' ' 67' ' ' VAL . 27.3 p -167.63 176.97 6.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 70' ' ' GLU . 69.7 m-20 37.65 53.83 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 69' ' ' ASP . 27.8 tt0 35.01 43.24 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -119.32 167.58 11.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 17.2 mtp -122.2 158.5 29.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.599 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -155.47 163.47 39.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.49 ' HE3' ' N ' ' A' ' 63' ' ' MET . 1.9 tpt -95.95 144.5 26.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -121.54 109.8 15.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.3 m -83.72 119.66 25.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.504 ' HG ' HG22 ' A' ' 94' ' ' VAL . 5.1 mp -112.9 94.68 5.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.41 ' HB3' ' HB ' ' A' ' 93' ' ' THR . . . -73.0 96.4 2.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 53.5 t -102.28 127.7 49.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.481 ' CG2' ' HB3' ' A' ' 56' ' ' LYS . 85.6 mt -126.17 103.36 11.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.642 HD12 HD21 ' A' ' 17' ' ' LEU . 18.5 mt -74.03 120.64 82.35 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.639 0.733 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -170.8 0.41 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.326 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.515 ' CE1' ' HG2' ' A' ' 53' ' ' ARG . 29.0 m-85 -92.75 -11.59 33.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.489 ' O ' ' C ' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -88.22 -39.35 14.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.75 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 3.7 t80 -30.48 142.42 0.1 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.644 0.735 . . . . 0.0 110.94 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.75 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.6 Cg_endo -69.77 -8.91 10.78 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.349 -0.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.491 ' C ' ' O ' ' A' ' 86' ' ' PRO . . . -29.11 -72.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.475 HG22 ' HD3' ' A' ' 84' ' ' LYS . 3.0 m -107.45 126.67 63.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.8 mt -44.46 158.0 0.29 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.597 0.713 . . . . 0.0 110.932 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.627 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.2 Cg_endo -69.76 -172.92 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.663 2.242 . . . . 0.0 112.35 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -121.98 60.64 0.97 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.9 mt -65.29 132.31 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.137 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.41 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 85.3 m -125.93 98.42 5.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.559 ' CG2' HD22 ' A' ' 111' ' ' LEU . 20.7 t -73.36 134.21 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 27.1 mtp180 -143.08 158.13 43.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -171.77 132.51 0.72 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.4 m -56.42 -27.45 24.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.602 HD13 HG21 ' A' ' 67' ' ' VAL . 27.3 mt -67.12 -55.05 15.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.512 HD12 ' OE1' ' A' ' 104' ' ' GLN . 8.6 mt -64.66 167.5 7.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.95 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.2 m -106.33 171.26 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.408 ' C ' ' HD3' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -63.04 -14.35 47.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 12.9 m -94.48 -62.37 1.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.832 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 12.1 mm-40 -51.78 -56.15 15.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.512 ' OE1' HD12 ' A' ' 99' ' ' LEU . 18.8 tp60 -46.03 -44.54 15.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 92.5 m -59.18 -53.23 60.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -55.39 -40.16 71.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.615 HD12 ' CD2' ' A' ' 139' ' ' TYR . 8.1 tt -60.88 -43.99 97.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -63.65 -47.42 81.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 58.5 m -47.43 -38.31 13.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -81.91 -45.8 14.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.559 HD22 ' CG2' ' A' ' 94' ' ' VAL . 18.6 tp -45.09 -42.28 8.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 95.8 m -71.61 -47.58 53.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.56 -45.73 73.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.495 ' CD1' ' CD1' ' A' ' 131' ' ' TRP . 45.6 t80 -42.57 -67.34 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.664 HD11 ' HB2' ' A' ' 128' ' ' ALA . 15.5 mt -53.87 -55.92 22.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 115' ' ' LEU . 14.7 mm-40 -34.78 -37.07 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 115' ' ' LEU . 18.3 ttpt -97.98 -64.93 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -52.0 -60.78 2.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 8.0 m -127.62 113.41 16.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.824 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -150.36 113.47 4.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 130.89 -28.58 3.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.19 165.87 13.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.671 HG12 ' CE2' ' A' ' 85' ' ' TYR . 15.9 m -74.8 100.47 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 68.6 m -134.91 86.46 2.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 20.6 mm -90.07 -37.4 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.153 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.78 -30.2 71.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -59.94 -41.51 91.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.664 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -64.1 -53.6 47.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 61.0 p -51.31 -42.18 61.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.179 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -64.39 -22.91 67.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.609 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 20.7 t90 -85.7 -23.86 27.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.468 HG21 HD21 ' A' ' 77' ' ' LEU . 96.0 t -81.93 -59.24 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.666 ' HA ' HD13 ' A' ' 65' ' ' LEU . 7.3 ptt180 -40.28 -28.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 132' ' ' VAL . 4.6 tp10 -90.84 -64.25 1.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.609 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 5.4 m-70 -52.2 -53.73 39.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.98 -69.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 52.9 p -37.51 -40.54 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -63.09 -54.33 33.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.467 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.615 ' CD2' HD12 ' A' ' 107' ' ' LEU . 77.8 m-85 -55.78 -53.21 59.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.918 0.389 . . . . 0.0 110.945 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.928 HG11 ' HB ' ' A' ' 67' ' ' VAL . 59.8 t -48.35 115.02 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 8.3 t -163.15 121.85 2.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 35.8 ttt85 -91.42 86.64 6.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.41 -57.16 3.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 8.9 t -63.34 144.21 57.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.148 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 146' ' ' SER . 22.7 t -73.69 -60.73 2.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 145' ' ' SER . 77.4 p 37.19 44.98 0.46 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 84.6 p -139.3 154.75 47.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.803 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -171.1 141.5 6.51 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -8.53 23.85 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 8.6 t -39.35 131.34 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.833 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 26.3 t -128.8 81.96 2.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.526 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.6 p -152.73 170.97 18.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.9 0.381 . . . . 0.0 110.828 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -60.13 99.61 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.829 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.19 -60.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.461 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 m -98.71 160.36 14.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.939 0.4 . . . . 0.0 110.825 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.2 m -91.59 97.39 11.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.76 -49.99 1.32 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -46.69 -34.31 5.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.808 0.337 . . . . 0.0 110.855 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -42.03 -53.01 4.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.726 ' HB2' ' NH2' ' A' ' 53' ' ' ARG . . . -51.64 -50.47 60.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -61.86 -40.6 95.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -46.03 -42.64 13.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -80.43 -49.52 11.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 15' ' ' ALA . 18.2 tp -53.84 -62.34 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.88 -52.82 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -56.96 -58.97 5.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.3 mt -45.92 -58.79 3.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -46.87 -41.04 15.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.5 tp -69.61 -49.49 53.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' ALA . 32.9 mt -49.46 -60.02 3.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -35.41 -47.23 0.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.0 m -74.96 -45.3 43.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 86.0 mmm -46.01 -38.82 8.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -108.38 79.21 0.94 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.612 0.72 . . . . 0.0 110.873 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -21.74 33.1 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.691 2.26 . . . . 0.0 112.333 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -44.64 163.93 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.484 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -80.73 -40.08 25.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.933 0.397 . . . . 0.0 110.919 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -123.21 50.56 1.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -102.41 -37.7 7.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.576 HD23 ' C ' ' A' ' 30' ' ' LEU . 0.4 OUTLIER -144.63 146.36 32.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.4 mp -142.79 124.19 11.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.475 HG12 ' O ' ' A' ' 32' ' ' VAL . 23.5 t -98.64 95.48 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -65.71 -50.97 62.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -88.14 87.97 7.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.81 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -78.06 -41.41 35.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.0 tp -43.45 -57.62 2.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -38.1 -50.85 1.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 79.7 t -66.69 -58.97 4.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.119 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -37.97 -53.39 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -60.47 -43.59 96.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.411 HD13 ' HD2' ' A' ' 53' ' ' ARG . 28.3 tp -48.18 -49.85 31.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.5 -44.91 96.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -56.42 -43.15 79.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.424 ' SG ' ' HA ' ' A' ' 50' ' ' MET . 1.4 t -60.46 -52.48 65.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.0 mt -61.01 -54.26 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -51.37 -49.93 60.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.48 ' HB3' HG22 ' A' ' 49' ' ' THR . 22.0 mtpp -67.74 -3.03 8.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.8 mttt 50.57 40.85 24.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.48 HG22 ' HB3' ' A' ' 47' ' ' LYS . 4.3 t -146.19 116.13 7.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.424 ' HA ' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -82.3 87.31 6.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -83.31 -34.52 25.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 129.82 125.09 2.68 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.524 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.726 ' NH2' ' HB2' ' A' ' 10' ' ' ALA . 8.1 mmt85 -51.84 148.96 5.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.813 0.339 . . . . 0.0 110.92 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.9 p -86.25 -40.37 15.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 m -158.45 155.07 27.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.479 ' HB3' ' CG2' ' A' ' 80' ' ' ILE . 6.3 mtmm -65.24 137.81 57.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.9 t -73.26 102.16 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -98.28 115.17 27.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 29.6 p90 -143.08 120.08 11.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.442 ' CG2' ' HB3' ' A' ' 76' ' ' SER . 25.7 m -91.25 138.68 31.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.143 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.2 mt -113.48 123.46 69.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -97.71 120.15 37.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 35.2 mtp -124.36 110.38 14.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -80.35 128.09 33.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 133' ' ' ARG . 0.8 OUTLIER -142.72 149.17 38.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.14 131.25 35.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.484 HG12 ' HA ' ' A' ' 137' ' ' SER . 5.1 m -109.04 -43.52 5.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.118 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.8 p -175.07 173.74 2.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.817 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 71' ' ' LYS . 2.2 t70 49.1 50.37 18.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.855 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 38.55 28.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.6 OUTLIER -114.63 -179.14 3.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 7.2 ptm -153.94 160.48 42.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.817 ' HB2' HD11 ' A' ' 98' ' ' LEU . . . -129.8 158.84 38.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.114 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 22.9 ttm -90.35 125.92 35.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.682 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 25.3 m-85 -108.3 105.88 15.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.442 ' HB3' ' CG2' ' A' ' 60' ' ' THR . 16.2 m -86.1 124.33 32.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.2 mp -112.46 94.15 4.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.409 ' HB3' ' HB ' ' A' ' 93' ' ' THR . . . -72.14 95.77 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 28.5 m -98.08 121.66 40.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.479 ' CG2' ' HB3' ' A' ' 56' ' ' LYS . 86.8 mt -125.96 119.25 54.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.438 HD23 ' HB3' ' A' ' 90' ' ' PRO . 34.5 mt -86.63 110.03 28.82 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.638 0.732 . . . . 0.0 110.936 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.401 ' HA ' ' HG2' ' A' ' 56' ' ' LYS . 53.3 Cg_endo -69.71 179.29 3.77 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.692 2.261 . . . . 0.0 112.378 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 53' ' ' ARG . 2.9 m-85 -82.69 20.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.798 ' HB2' HG22 ' A' ' 88' ' ' VAL . 21.2 mmtt -115.27 -50.15 2.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.726 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.9 t80 -27.34 140.87 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.672 0.749 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.726 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 54.1 Cg_endo -69.79 -9.17 10.94 Favored 'Cis proline' 0 C--N 1.341 0.14 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.31 0.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.501 ' HB3' ' HB3' ' A' ' 84' ' ' LYS . . . -33.33 -76.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.107 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.798 HG22 ' HB2' ' A' ' 84' ' ' LYS . 2.5 m -99.5 129.52 49.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.563 HD12 ' HG2' ' A' ' 116' ' ' GLN . 59.3 mt -48.24 157.64 0.65 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.706 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.624 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.2 Cg_endo -69.76 156.46 63.28 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.636 2.224 . . . . 0.0 112.376 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -90.82 77.83 6.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 31.5 mt -83.7 106.81 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.409 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 85.6 m -102.76 108.72 20.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.2 t -81.38 132.65 31.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -131.68 149.61 52.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.542 ' HB3' HD12 ' A' ' 99' ' ' LEU . 43.7 t -172.7 134.91 0.64 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.589 HG13 HD23 ' A' ' 98' ' ' LEU . 4.3 p -64.2 -32.72 58.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.13 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.817 HD11 ' HB2' ' A' ' 73' ' ' ALA . 15.6 mt -65.84 -43.15 89.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.542 HD12 ' HB3' ' A' ' 96' ' ' SER . 49.8 mt -70.19 138.29 51.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.4 t -83.65 152.84 24.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -45.95 -34.76 4.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.1 m -78.19 -54.48 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -53.47 -55.66 23.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -40.35 -53.67 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 89.1 m -45.78 -61.33 1.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -49.82 -55.03 15.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.439 HD12 ' CD2' ' A' ' 139' ' ' TYR . 10.6 tt -42.79 -60.2 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -50.13 -51.82 40.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 23.0 m -43.45 -42.62 4.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.552 ' HB3' ' CH2' ' A' ' 131' ' ' TRP . 0.7 OUTLIER -75.27 -56.85 4.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.717 HD13 HG23 ' A' ' 132' ' ' VAL . 11.1 tp -36.63 -60.16 0.62 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 87.0 m -56.54 -49.46 74.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -48.58 -53.76 17.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 113' ' ' ALA . 8.0 t80 -35.47 -60.6 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.656 HD11 ' HB2' ' A' ' 128' ' ' ALA . 6.2 mt -58.56 -51.33 70.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.563 ' HG2' HD12 ' A' ' 89' ' ' LEU . 40.6 mt-30 -45.4 -32.8 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -64.55 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -92.42 -65.04 1.03 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 86.0 m -71.06 90.81 0.86 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -143.14 116.67 9.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 97.46 -18.64 57.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.477 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.43 160.45 17.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.819 0.342 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.481 ' O ' HG23 ' A' ' 123' ' ' VAL . 15.7 m -84.53 110.94 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 28.1 m -154.55 105.29 2.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.839 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.449 ' CD1' ' HG3' ' A' ' 90' ' ' PRO . 47.1 mm -96.09 -50.99 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.134 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 127' ' ' ASN . 12.6 mt -45.23 -50.97 11.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 126' ' ' LEU . 9.8 m120 -36.65 -43.94 0.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.669 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -63.86 -51.58 63.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 30.1 p -55.28 -33.82 63.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -70.17 -29.06 65.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.562 ' CE3' ' O ' ' A' ' 131' ' ' TRP . 24.0 t90 -82.74 -22.42 34.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.717 HG23 HD13 ' A' ' 111' ' ' LEU . 98.9 t -87.97 -56.53 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.464 ' HA ' ' CD1' ' A' ' 65' ' ' LEU . 10.8 ptp180 -38.43 -26.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 132' ' ' VAL . 4.3 tp10 -95.26 -64.52 1.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.461 ' O ' ' C ' ' A' ' 136' ' ' ALA . 37.9 m-70 -53.61 -51.38 63.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.682 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -33.26 -70.32 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.092 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.484 ' HA ' HG12 ' A' ' 67' ' ' VAL . 21.9 m -45.51 -41.79 10.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -53.92 -54.27 32.05 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.439 ' CD2' HD12 ' A' ' 107' ' ' LEU . 68.2 m-85 -54.33 -53.46 53.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.946 0.403 . . . . 0.0 110.888 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 52.1 t -47.82 123.11 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 142' ' ' ARG . 36.2 m -109.82 136.65 48.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 141' ' ' SER . 15.2 ttm180 -35.46 123.29 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -129.35 109.47 11.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 80.5 p -91.09 146.97 23.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 79.5 p -157.35 115.17 3.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 6.1 t -72.21 119.02 15.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 38.4 p -102.97 134.27 46.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -67.65 120.16 12.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 161.54 45.54 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.64 2.226 . . . . 0.0 112.313 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 3.3 m -158.86 127.97 5.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 57.2 p -52.56 133.56 35.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.474 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 m -90.98 160.75 15.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.883 0.373 . . . . 0.0 110.831 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -45.99 133.3 8.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.803 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.42 -125.45 1.21 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -48.01 136.93 10.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.929 0.395 . . . . 0.0 110.794 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -122.02 98.93 6.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.81 45.67 3.33 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.459 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -55.32 -37.28 67.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.821 0.343 . . . . 0.0 110.878 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -45.38 -51.79 10.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.99 -42.69 38.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -69.3 -42.22 75.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -47.07 -51.36 17.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -67.73 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.756 HD11 ' HD2' ' A' ' 42' ' ' LYS . 54.1 tp -40.05 -59.93 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.36 -59.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -52.67 -55.4 22.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.42 HD11 HD12 ' A' ' 81' ' ' LEU . 57.7 mt -47.44 -63.89 0.93 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -41.04 -55.84 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.554 HD23 ' HG2' ' A' ' 23' ' ' MET . 3.4 tt -51.47 -62.68 1.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.932 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 23' ' ' MET . 18.4 mt -36.01 -59.07 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.69 -43.18 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.162 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.6 t -76.45 -39.7 52.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.554 ' HG2' HD23 ' A' ' 19' ' ' LEU . 91.2 mmm -53.49 -39.18 64.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -109.08 77.43 0.86 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.661 0.743 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 26' ' ' GLY . 53.6 Cg_endo -69.75 -20.46 34.84 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 2.253 . . . . 0.0 112.366 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 25' ' ' PRO . . . -34.32 149.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.505 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' ' 28' ' ' ASN . 0.4 OUTLIER -72.25 -35.95 68.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 110.843 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.442 ' N ' ' HG2' ' A' ' 27' ' ' GLU . 5.2 m-80 -133.3 47.2 2.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -97.03 -73.24 0.61 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.59 ' O ' HD23 ' A' ' 30' ' ' LEU . 0.4 OUTLIER -96.13 128.72 43.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.517 HD13 ' ND2' ' A' ' 62' ' ' ASN . 5.1 mp -127.37 127.99 69.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.0 p -111.51 125.36 68.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -86.86 -50.85 6.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.84 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -88.44 89.84 8.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -81.98 -38.76 24.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.4 tp -45.73 -55.37 6.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.08 -45.92 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.097 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.72 HG12 ' HE2' ' A' ' 42' ' ' LYS . 54.2 t -69.26 -60.45 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -40.01 -47.28 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.083 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -67.59 -37.77 83.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.45 HD23 ' HB2' ' A' ' 14' ' ' LEU . 12.6 tp -56.47 -22.16 30.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.756 ' HD2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -83.38 -37.35 23.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.816 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -76.07 -50.31 15.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 45' ' ' ILE . 1.4 p -41.12 -41.5 1.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.444 ' N ' ' SG ' ' A' ' 44' ' ' CYS . 34.9 mt -67.03 -50.67 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -58.05 -41.57 83.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt -77.73 -23.25 49.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp 55.86 43.7 27.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.968 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.3 t -125.87 -12.27 6.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.493 ' N ' ' SD ' ' A' ' 50' ' ' MET . 0.0 OUTLIER 44.71 49.36 8.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -92.36 -45.04 8.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.5 ' O ' ' C ' ' A' ' 53' ' ' ARG . . . -58.06 -115.6 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.5 ' C ' ' O ' ' A' ' 52' ' ' GLY . 6.9 mtp-105 29.26 51.63 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.802 0.334 . . . . 0.0 110.875 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.1 m -85.97 -35.57 20.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 42.1 m -108.41 159.42 16.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.7 mttt -85.43 130.52 34.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.08 97.39 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.169 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -97.65 122.15 40.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.546 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 40.1 p90 -155.44 126.07 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.486 HG22 ' N ' ' A' ' 61' ' ' ILE . 27.6 m -96.39 158.94 15.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.486 ' N ' HG22 ' A' ' 60' ' ' THR . 85.5 mt -133.58 127.27 52.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.12 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.517 ' ND2' HD13 ' A' ' 31' ' ' ILE . 67.3 m-80 -103.91 121.04 42.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.3 mtm -124.25 123.27 39.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -85.31 114.41 22.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.531 HD13 ' HA ' ' A' ' 133' ' ' ARG . 1.4 mt -142.66 162.19 36.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -85.13 151.54 24.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.6 m -121.42 -45.23 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.0 t -173.74 171.21 3.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 49.76 37.49 13.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 48.96 31.06 3.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -101.37 169.87 8.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.2 mtp -128.72 153.01 47.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.621 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -156.84 156.07 32.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 47.0 mtp -87.63 148.7 24.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.543 ' HZ ' HG21 ' A' ' 140' ' ' VAL . 16.8 m-85 -129.65 106.26 8.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 13.5 p -82.02 128.93 34.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.489 HD21 HG21 ' A' ' 132' ' ' VAL . 6.8 mp -123.08 95.25 4.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.959 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.6 93.32 1.59 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.546 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 12.0 m -92.98 125.02 37.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 95.2 mt -126.02 142.33 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.736 HD21 HD11 ' A' ' 125' ' ' ILE . 52.5 mt -113.67 115.76 46.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.583 0.706 . . . . 0.0 110.93 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -168.61 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.663 2.242 . . . . 0.0 112.334 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -102.84 26.47 8.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.584 ' HD2' HG11 ' A' ' 88' ' ' VAL . 7.5 mttm -125.34 -42.39 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.724 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.7 t80 -28.85 141.35 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.71 0.767 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.724 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.8 -8.03 10.35 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 -1.795 . . . . 0.0 112.325 -0.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.514 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -32.18 -76.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.584 HG11 ' HD2' ' A' ' 84' ' ' LYS . 2.5 m -99.88 126.61 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.576 HD13 ' HD2' ' A' ' 90' ' ' PRO . 0.4 OUTLIER -42.46 160.88 0.18 Allowed Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.653 0.74 . . . . 0.0 110.913 179.893 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.59 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.1 Cg_endo -69.76 169.22 19.42 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.654 2.236 . . . . 0.0 112.345 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -111.03 66.18 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.483 HG21 HD21 ' A' ' 111' ' ' LEU . 69.8 mt -79.22 126.18 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 46.1 m -122.12 105.75 10.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.516 ' HB ' HD22 ' A' ' 107' ' ' LEU . 20.9 t -77.97 139.12 19.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 26.2 mtt180 -139.65 149.44 43.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.432 ' HB3' HD12 ' A' ' 99' ' ' LEU . 11.0 t -171.74 142.73 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 3.0 p -66.84 -34.22 68.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.106 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.621 HD11 ' CB ' ' A' ' 73' ' ' ALA . 13.1 mt -61.36 -52.28 65.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.432 HD12 ' HB3' ' A' ' 96' ' ' SER . 7.3 mt -55.47 174.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.8 t -127.06 161.44 28.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -43.73 -41.0 4.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.855 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.7 m -76.05 -68.92 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 104' ' ' GLN . 80.7 mm-40 -41.35 -63.43 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 103' ' ' GLN . 20.9 tp60 -36.15 -64.45 0.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 88.4 m -41.52 -63.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -44.94 -42.79 8.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 139' ' ' TYR . 9.6 tt -63.56 -42.97 98.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -57.32 -51.67 68.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 47.8 m -55.45 -61.51 2.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 111' ' ' LEU . 2.1 m-20 -46.86 -59.08 3.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.483 HD21 HG21 ' A' ' 92' ' ' ILE . 12.1 tp -34.01 -59.12 0.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.453 HG22 ' CG ' ' A' ' 116' ' ' GLN . 60.2 m -55.5 -54.47 43.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -38.48 -53.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -41.04 -61.97 0.9 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.571 HD11 ' HB2' ' A' ' 128' ' ' ALA . 14.9 mt -61.07 -54.64 42.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.453 ' CG ' HG22 ' A' ' 112' ' ' THR . 24.5 mm-40 -35.66 -39.71 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.924 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -94.46 -65.02 1.01 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 26.6 m-70 -53.28 -59.75 4.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 48.3 m -104.86 96.27 6.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -129.55 135.12 48.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 80.85 -8.81 55.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.489 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.7 175.93 5.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.87 0.367 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.67 HG12 ' CD2' ' A' ' 85' ' ' TYR . 34.3 m -113.58 115.47 49.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 3.6 m -156.82 106.91 2.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.736 HD11 HD21 ' A' ' 81' ' ' LEU . 19.4 mm -90.47 -41.54 13.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.152 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 12.9 mt -47.96 -44.05 30.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -45.34 -38.19 5.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.571 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -67.09 -60.0 2.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.08 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 78.0 p -51.79 -27.09 11.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -81.12 -24.98 37.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.629 ' CZ2' ' ND1' ' A' ' 135' ' ' HIS . 9.0 t90 -91.37 -20.77 21.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.489 HG21 HD21 ' A' ' 77' ' ' LEU . 24.5 t -84.11 -57.32 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.153 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.531 ' HA ' HD13 ' A' ' 65' ' ' LEU . 20.0 ptt180 -35.29 -33.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 132' ' ' VAL . 7.6 tp10 -91.31 -67.96 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.629 ' ND1' ' CZ2' ' A' ' 131' ' ' TRP . 4.6 m-70 -42.91 -53.17 4.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.559 ' O ' HG23 ' A' ' 140' ' ' VAL . . . -34.73 -68.43 0.12 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 136' ' ' ALA . 1.3 t -34.4 -39.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -67.65 -56.65 10.69 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 107' ' ' LEU . 79.4 m-85 -52.42 -20.45 2.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 0.0 110.933 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 136' ' ' ALA . 1.8 t -98.73 163.41 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.104 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 18.3 m 63.27 47.16 4.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . 0.717 ' O ' HG23 ' A' ' 144' ' ' THR . 40.3 ttp180 41.72 43.27 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 142' ' ' ARG . 4.7 t0 36.06 47.33 0.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.717 HG23 ' O ' ' A' ' 142' ' ' ARG . 31.8 p -140.46 127.77 21.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.128 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.8 t -96.16 138.69 33.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 2.0 t -65.09 133.16 51.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 88.7 p -101.75 169.94 8.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 103.44 -143.12 15.68 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.538 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 94.83 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.727 2.284 . . . . 0.0 112.328 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 7.6 t -82.31 -45.23 15.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.7 t -52.54 -52.75 53.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.82 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.464 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 t -84.47 117.78 23.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.877 0.37 . . . . 0.0 110.897 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.6 t -59.34 107.68 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.38 -69.83 0.52 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.477 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.1 p -54.17 93.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.878 0.37 . . . . 0.0 110.898 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -70.68 -57.64 4.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.0 53.3 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 9' ' ' GLN . 12.8 pt-20 -64.4 -45.92 85.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.829 0.347 . . . . 0.0 110.912 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.443 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 34.7 tt0 -39.74 -57.23 1.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.825 ' HB2' ' NH2' ' A' ' 53' ' ' ARG . . . -50.18 -51.94 39.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -59.93 -34.76 73.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.86 -50.81 70.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.408 ' NE2' ' HB3' ' A' ' 85' ' ' TYR . 60.5 mt-30 -71.61 -41.73 68.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.441 ' O ' ' C ' ' A' ' 15' ' ' ALA . 30.4 tp -56.98 -64.88 0.73 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.99 -55.9 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.041 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -50.2 -44.95 53.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' LEU . 87.9 mt -58.5 -70.03 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -42.39 -42.78 3.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.678 HD23 ' HG2' ' A' ' 23' ' ' MET . 4.1 tt -59.02 -55.35 36.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.5 mt -50.38 -55.48 15.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.02 -45.75 1.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.8 m -77.37 -38.49 49.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.678 ' HG2' HD23 ' A' ' 19' ' ' LEU . 65.5 mmm -48.65 -38.79 22.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.449 ' HB3' ' CD ' ' A' ' 29' ' ' GLU . 94.8 m-85 -108.01 82.09 1.39 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.683 0.754 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -19.96 35.41 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.26 . . . . 0.0 112.35 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -59.57 151.93 35.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -81.79 145.18 30.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.927 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 52.75 52.98 12.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.449 ' CD ' ' HB3' ' A' ' 24' ' ' PHE . 2.2 pp20? -116.41 -39.14 3.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.773 HD12 HG12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -134.28 134.02 41.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.427 HD13 ' ND2' ' A' ' 62' ' ' ASN . 4.9 mp -130.61 129.15 64.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.403 HG11 ' NE2' ' A' ' 35' ' ' GLN . 1.5 p -104.87 99.52 8.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -52.65 -55.98 18.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -90.51 77.58 6.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.403 ' NE2' HG11 ' A' ' 32' ' ' VAL . 0.3 OUTLIER -68.55 -41.57 79.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.8 tp -52.52 -43.7 65.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -42.31 -39.33 2.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.6 t -72.71 -57.23 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -45.77 -52.93 10.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -61.61 -40.39 94.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 18.9 tp -59.51 -51.76 68.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -49.24 -46.63 46.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 44' ' ' CYS . 8.8 t0 -55.85 -57.86 10.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.873 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 43' ' ' ASP . 76.0 m -35.69 -55.01 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 68.0 mt -46.18 -59.69 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.137 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -58.92 -44.77 91.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.3 mmmt -66.17 -11.04 46.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.5 mttt 57.86 43.31 21.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.878 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.427 ' O ' HG23 ' A' ' 49' ' ' THR . 8.8 t -154.4 124.79 6.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.426 ' HG3' ' NH2' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -83.81 49.28 1.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.832 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -133.16 120.23 20.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 53' ' ' ARG . . . 142.49 -44.27 0.99 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.825 ' NH2' ' HB2' ' A' ' 10' ' ' ALA . 92.7 mtt180 -34.67 -66.88 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.341 . . . . 0.0 110.901 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 45.23 25.02 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.0 m -156.2 130.9 8.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.846 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -81.24 140.24 35.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 83.9 t -69.48 96.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.434 ' HE1' ' HB1' ' A' ' 78' ' ' ALA . 19.1 t80 -106.39 114.48 28.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 7.0 p90 -140.23 130.24 24.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 93.4 m -100.02 121.58 41.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.773 HG12 HD12 ' A' ' 30' ' ' LEU . 61.6 mt -98.69 125.92 51.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.427 ' ND2' HD13 ' A' ' 31' ' ' ILE . 83.5 m-20 -98.73 121.82 41.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 36.6 mtp -127.68 109.77 12.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 48.2 p-10 -84.19 114.56 21.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.595 HD13 ' HA ' ' A' ' 133' ' ' ARG . 0.5 OUTLIER -140.54 162.55 35.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -78.66 151.86 32.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.499 HG12 HG21 ' A' ' 140' ' ' VAL . 20.5 m -123.64 -41.54 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.177 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 69' ' ' ASP . 1.6 t -175.41 179.58 1.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 68' ' ' SER . 15.9 m-20 33.8 54.2 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 69' ' ' ASP . 22.9 tt0 35.04 48.71 0.36 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -118.02 174.87 5.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.86 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.0 mtp -133.06 152.94 51.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.474 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -153.07 154.67 35.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 47.4 mtp -86.95 151.24 23.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.552 ' CZ ' ' HB1' ' A' ' 136' ' ' ALA . 25.9 m-85 -132.13 100.19 4.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.6 p -82.62 116.98 22.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.566 ' HG ' HG22 ' A' ' 94' ' ' VAL . 6.6 mp -108.65 94.83 5.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.434 ' HB1' ' HE1' ' A' ' 58' ' ' TYR . . . -71.92 98.75 2.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 2.7 m -100.0 130.73 46.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 89.9 mt -127.4 118.99 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.9 mt -95.71 107.51 34.2 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.608 0.718 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -176.77 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.256 . . . . 0.0 112.371 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -90.37 26.19 2.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.627 ' HB2' HG22 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -119.92 -49.75 2.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.718 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.7 t80 -28.36 142.07 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.667 0.746 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.718 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.7 Cg_endo -69.75 -2.44 7.13 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.704 -1.79 . . . . 0.0 112.321 -0.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.46 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -40.08 -73.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.627 HG22 ' HB2' ' A' ' 84' ' ' LYS . 2.8 m -104.11 127.23 58.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.098 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.428 HD11 ' HA ' ' A' ' 116' ' ' GLN . 53.4 mt -49.48 155.44 1.32 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.605 0.717 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.604 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.2 Cg_endo -69.77 168.98 20.01 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.71 2.273 . . . . 0.0 112.343 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -103.46 65.76 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 61.8 mt -70.81 110.3 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.144 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.436 ' CG2' ' HE ' ' A' ' 95' ' ' ARG . 89.3 m -111.45 102.96 11.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.161 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.566 HG22 ' HG ' ' A' ' 77' ' ' LEU . 61.7 t -73.23 135.67 27.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.436 ' HE ' ' CG2' ' A' ' 93' ' ' THR . 21.4 mmt180 -140.93 146.07 36.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 98' ' ' LEU . 4.6 t -174.1 131.17 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.472 HG13 HD23 ' A' ' 98' ' ' LEU . 7.4 p -37.5 -32.0 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.474 HD11 ' CB ' ' A' ' 73' ' ' ALA . 10.3 mt -66.66 -57.09 7.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.423 HD21 HG13 ' A' ' 140' ' ' VAL . 12.2 mt -74.84 126.02 30.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 66.9 m -110.7 -75.24 0.62 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.14 -75.02 0.6 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.892 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 70.3 m -52.54 -63.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.784 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.43 ' H ' ' CD ' ' A' ' 103' ' ' GLN . 12.4 mp0 -49.29 -56.13 10.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 -55.4 -68.24 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 45.3 m -42.52 -48.41 5.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -57.58 -36.61 71.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.491 ' HA ' ' CZ ' ' A' ' 139' ' ' TYR . 9.7 tt -73.4 -55.28 6.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 24.9 m-20 -54.74 -46.98 74.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 24.2 m -47.16 -42.35 19.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.445 ' O ' ' C ' ' A' ' 111' ' ' LEU . 1.9 m-20 -80.93 -53.83 6.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.45 ' CD2' HG23 ' A' ' 94' ' ' VAL . 12.0 tp -33.81 -51.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.713 HG22 ' OE1' ' A' ' 116' ' ' GLN . 24.7 m -67.01 -53.1 34.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.165 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -47.19 -50.14 21.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.055 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.527 ' CZ ' ' ND2' ' A' ' 127' ' ' ASN . 9.1 t80 -42.03 -59.17 1.83 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.553 HD11 ' HB2' ' A' ' 128' ' ' ALA . 29.3 mt -63.69 -55.33 24.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.713 ' OE1' HG22 ' A' ' 112' ' ' THR . 39.5 mt-30 -34.44 -48.53 0.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 5.0 ttmm -82.18 -64.37 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -43.93 -61.68 1.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.801 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 1.8 t -123.1 120.27 32.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -133.33 83.11 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 124.65 43.38 0.31 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.464 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -159.42 178.44 9.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.881 0.372 . . . . 0.0 110.843 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.682 HG12 ' CE2' ' A' ' 85' ' ' TYR . 17.1 m -109.6 91.22 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 11.5 m -134.81 89.82 2.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 43.8 mm -82.69 -49.6 16.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.423 HD21 ' HE2' ' A' ' 23' ' ' MET . 3.1 mt -47.14 -47.27 23.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.527 ' ND2' ' CZ ' ' A' ' 114' ' ' PHE . 18.2 t30 -40.63 -38.35 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.553 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -68.88 -54.4 15.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 73.3 p -53.35 -28.81 30.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -77.81 -20.46 53.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.722 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 27.9 t90 -92.1 -28.39 17.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 71.7 t -79.93 -50.51 17.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.106 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.595 ' HA ' HD13 ' A' ' 65' ' ' LEU . 5.5 ptm180 -44.64 -29.21 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -93.55 -67.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.722 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 8.7 m-70 -45.81 -48.61 15.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.618 ' O ' HG22 ' A' ' 140' ' ' VAL . . . -33.37 -71.45 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.547 ' HA ' HG23 ' A' ' 140' ' ' VAL . 11.7 m -36.87 -40.32 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -57.99 -59.48 10.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.498 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.491 ' CZ ' ' HA ' ' A' ' 107' ' ' LEU . 86.6 m-85 -58.2 -41.3 83.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.955 0.407 . . . . 0.0 110.94 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 136' ' ' ALA . 0.0 OUTLIER -83.65 34.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.088 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 15.3 t -80.07 115.7 19.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -164.89 152.28 11.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -101.48 42.97 1.09 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 66.5 p -60.81 150.34 33.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 33.7 p -158.76 160.0 35.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 78.5 p -131.13 136.2 48.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.826 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 20.4 t -172.17 139.31 1.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 138.96 -157.55 24.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.489 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 2.19 3.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 2.238 . . . . 0.0 112.372 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 30.6 m -46.59 172.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 10.8 t -74.62 171.97 12.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.841 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.44 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -50.15 -46.01 53.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 110.818 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 m -89.03 108.36 19.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.07 -121.41 4.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.488 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.5 m -125.04 111.05 14.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.882 0.372 . . . . 0.0 110.859 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.1 m -108.79 -50.56 3.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.12 112.16 0.28 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -97.79 -31.51 12.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 110.895 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -52.57 -46.63 66.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.35 -45.94 87.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' ALA . 42.7 mt-10 -64.89 -45.58 85.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' GLU . . . -35.97 -63.2 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.116 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -51.99 -54.26 31.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.912 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 15' ' ' ALA . 39.3 tp -49.55 -60.62 2.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.62 -57.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.132 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -51.84 -62.4 1.65 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 71.9 mt -45.52 -55.9 5.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 18' ' ' ASP . 30.3 t0 -51.33 -42.77 61.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.522 HD11 ' SD ' ' A' ' 23' ' ' MET . 8.5 tp -66.51 -59.22 3.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 19' ' ' LEU . 16.2 mt -36.33 -54.82 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -47.58 -48.3 28.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 p -69.91 -38.95 76.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.802 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.522 ' SD ' HD11 ' A' ' 19' ' ' LEU . 53.1 mmm -56.95 -41.92 79.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.497 ' CB ' ' OE1' ' A' ' 29' ' ' GLU . 92.3 m-85 -107.23 74.23 0.39 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.634 0.731 . . . . 0.0 110.837 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.405 ' HD3' ' O ' ' A' ' 23' ' ' MET . 53.8 Cg_endo -69.76 -21.49 33.42 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.718 2.279 . . . . 0.0 112.354 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -55.25 165.03 3.64 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -90.26 142.43 27.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.86 0.362 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.7 m120 60.55 48.81 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.497 ' OE1' ' CB ' ' A' ' 24' ' ' PHE . 2.3 pp20? -117.32 -38.79 3.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.446 ' O ' HD23 ' A' ' 30' ' ' LEU . 1.1 tt -144.04 129.88 19.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.2 mp -131.08 117.36 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.608 HG22 ' HB3' ' A' ' 59' ' ' PHE . 51.2 t -94.4 94.49 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -64.98 -51.5 61.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -75.52 64.35 1.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -66.91 -27.39 67.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 21.8 tp -64.06 -36.41 83.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.69 -50.64 72.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.071 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.656 HG12 ' HD2' ' A' ' 42' ' ' LYS . 90.2 t -59.73 -39.12 78.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.162 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.91 -41.33 77.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -65.0 -44.38 89.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 32.2 tp -60.07 -58.62 7.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.656 ' HD2' HG12 ' A' ' 38' ' ' VAL . 43.8 mttt -48.91 -40.28 29.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.945 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 44' ' ' CYS . 15.4 t0 -69.39 -54.65 13.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.843 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 43' ' ' ASP . 22.3 m -37.54 -56.88 0.99 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 28.1 mt -51.41 -46.2 34.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -62.48 -48.85 77.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.2 mtmm -65.05 -16.58 63.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.8 mttt 59.15 43.64 16.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.46 ' O ' ' C ' ' A' ' 50' ' ' MET . 9.6 t -131.28 -38.01 1.22 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.178 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.46 ' C ' ' O ' ' A' ' 49' ' ' THR . 12.2 ptp 32.96 46.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.87 -17.95 1.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.897 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 121.63 130.01 3.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.524 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.446 ' HB2' ' NH1' ' A' ' 53' ' ' ARG . 9.1 mtm105 -88.12 143.28 27.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.32 . . . . 0.0 110.929 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.6 t -98.26 -41.35 7.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.836 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.7 m -84.03 122.1 28.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.4 ' HB3' HG23 ' A' ' 80' ' ' ILE . 14.0 mttm -72.6 153.68 41.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 64.3 t -83.38 97.46 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.076 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -96.5 126.08 41.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.608 ' HB3' HG22 ' A' ' 32' ' ' VAL . 13.9 p90 -153.54 131.53 11.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.1 m -98.86 150.0 22.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 53.0 mt -126.92 118.6 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.174 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -90.48 110.41 21.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 72.2 mtp -110.62 119.84 40.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.421 ' O ' HD23 ' A' ' 65' ' ' LEU . 4.4 m120 -88.54 121.49 30.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 64' ' ' ASN . 0.3 OUTLIER -148.49 148.41 30.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -73.78 147.0 43.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.848 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.675 ' HB ' HG11 ' A' ' 140' ' ' VAL . 21.2 m -122.79 -48.24 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.132 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.52 ' N ' HG23 ' A' ' 67' ' ' VAL . 5.3 t -175.22 170.54 3.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 71' ' ' LYS . 4.6 m-20 50.9 51.87 16.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.867 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 38.35 28.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 69' ' ' ASP . 24.8 mtpp -115.78 176.36 5.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.23 164.03 32.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -142.7 165.78 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 40.9 mtp -96.49 137.95 34.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -117.54 117.83 30.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.8 m -89.44 126.42 35.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.531 HD21 HG21 ' A' ' 132' ' ' VAL . 6.1 mp -117.89 93.95 4.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.967 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.74 94.26 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 52.5 m -95.57 115.54 27.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.4 HG23 ' HB3' ' A' ' 56' ' ' LYS . 78.2 mt -118.94 118.76 58.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.9 mt -91.88 118.89 68.49 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.629 0.728 . . . . 0.0 110.933 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -170.56 0.4 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.67 2.246 . . . . 0.0 112.366 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -89.11 -20.37 24.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.564 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 11.4 mttt -77.2 -45.81 25.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.752 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.5 t80 -26.38 141.46 0.05 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.633 0.73 . . . . 0.0 110.958 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.752 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 54.0 Cg_endo -69.78 -10.47 11.54 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.334 -0.053 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.564 ' HB3' ' HB3' ' A' ' 84' ' ' LYS . . . -30.98 -76.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.548 HG22 ' HB2' ' A' ' 84' ' ' LYS . 2.1 m -98.43 125.14 51.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.499 ' CD2' ' HD2' ' A' ' 90' ' ' PRO . 13.5 mt -42.7 161.37 0.18 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.626 0.727 . . . . 0.0 110.901 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.585 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.2 Cg_endo -69.79 -171.23 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.651 2.234 . . . . 0.0 112.33 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -126.35 59.39 1.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.1 mt -66.76 126.96 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.179 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.1 m -120.8 102.3 8.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.485 ' CG2' HD22 ' A' ' 111' ' ' LEU . 45.8 t -73.41 129.58 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -140.72 128.95 22.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 30.0 t -149.6 130.99 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 38.6 t -47.51 -36.89 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.56 HD22 HG11 ' A' ' 67' ' ' VAL . 6.7 mp -66.44 -54.71 21.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 97.9 mt -59.15 112.39 1.68 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.5 m -63.58 152.09 39.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -40.52 -47.21 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.852 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.6 p -68.62 -57.14 6.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.87 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -46.23 -62.14 1.47 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.624 HE22 HD22 ' A' ' 107' ' ' LEU . 17.3 tp60 -41.0 -55.77 2.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 88.9 m -41.37 -59.38 1.58 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.096 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -51.08 -45.92 61.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.624 HD22 HE22 ' A' ' 104' ' ' GLN . 9.1 tt -57.08 -58.54 7.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -45.78 -58.49 3.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 27.5 m -42.77 -39.82 2.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.54 -55.98 5.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.523 ' HA ' ' CZ3' ' A' ' 131' ' ' TRP . 21.6 tp -38.58 -53.75 1.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 86.8 m -60.98 -50.0 75.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.167 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -47.35 -52.38 16.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.405 ' CD1' ' CD1' ' A' ' 131' ' ' TRP . 8.9 t80 -39.9 -56.58 1.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 4.7 mt -60.43 -58.23 9.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -39.57 -35.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -78.27 -63.36 1.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -84.59 -66.66 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 77.9 m -79.4 93.91 5.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -135.33 121.02 19.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 73.52 39.44 49.98 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.24 156.79 31.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.681 ' O ' HG23 ' A' ' 123' ' ' VAL . 35.7 m -83.18 91.74 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 89.6 m -134.88 83.08 2.0 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 41.4 mm -83.86 -39.28 14.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.55 -47.48 86.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 13.6 m-80 -42.44 -38.86 2.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.468 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -67.87 -51.81 43.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.071 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 60.4 p -54.63 -32.26 58.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -75.42 -32.14 60.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.592 ' CZ2' ' CD2' ' A' ' 135' ' ' HIS . 36.1 t90 -80.74 -15.78 55.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.531 HG21 HD21 ' A' ' 77' ' ' LEU . 54.1 t -81.31 -64.65 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.142 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -41.88 -23.91 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 132' ' ' VAL . 5.7 mm-40 -82.83 -66.51 0.88 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.592 ' CD2' ' CZ2' ' A' ' 131' ' ' TRP . 5.4 m-70 -59.51 -50.03 75.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.35 -70.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 59.1 p -41.78 -37.1 1.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.822 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -61.75 -50.54 65.02 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.484 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -62.94 -44.77 95.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.899 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.675 HG11 ' HB ' ' A' ' 67' ' ' VAL . 96.2 t -43.43 115.32 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.3 m -142.29 145.79 34.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -97.79 145.01 26.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -130.07 124.94 34.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 29.0 p -88.25 157.27 18.82 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.6 t -90.58 91.18 8.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 65.5 m -57.61 112.01 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 3.5 t -86.42 124.79 33.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.839 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 126.29 127.7 3.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.465 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -174.16 0.86 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.689 2.259 . . . . 0.0 112.327 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 78.8 p -165.97 168.9 15.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 6.3 t -105.72 172.33 6.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.961 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -46.46 110.07 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 m -85.98 160.66 19.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.1 -55.1 0.54 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.7 m -107.15 142.52 36.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.831 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 t -147.02 170.33 17.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.1 67.07 2.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 9' ' ' GLN . 12.0 pt-20 -70.35 -46.91 63.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 110.891 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.456 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 27.7 tt0 -43.45 -63.43 0.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.535 ' HB2' ' SD ' ' A' ' 50' ' ' MET . . . -40.84 -44.02 2.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -66.08 -45.62 80.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -40.34 -49.93 2.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.416 ' NE2' ' HB3' ' A' ' 85' ' ' TYR . 37.0 mt-30 -70.71 -61.12 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.914 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 15' ' ' ALA . 56.7 tp -45.95 -64.36 0.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -34.96 -59.6 0.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.089 179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -49.43 -53.88 20.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.798 HD21 ' CD1' ' A' ' 81' ' ' LEU . 58.2 mt -49.79 -65.32 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -40.47 -40.74 1.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 tp -68.85 -60.33 2.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.8 mt -38.68 -49.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.55 -47.64 14.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 m -76.24 -40.83 50.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.826 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 76.6 mmm -48.1 -36.36 13.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -108.12 76.94 0.64 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.671 0.748 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 26' ' ' GLY . 53.6 Cg_endo -69.8 -40.26 5.47 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 25' ' ' PRO . . . -34.75 151.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.485 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -72.78 127.74 33.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.836 0.35 . . . . 0.0 110.904 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 62.19 42.96 9.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -95.68 -32.23 12.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.582 HD21 HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -142.58 137.45 30.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.417 ' CD1' ' ND2' ' A' ' 62' ' ' ASN . 5.4 mp -129.57 121.34 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.582 HG23 HD21 ' A' ' 30' ' ' LEU . 83.6 t -101.73 94.22 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.129 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.444 ' HB2' ' CD2' ' A' ' 58' ' ' TYR . 33.2 m-80 -62.42 -56.72 15.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.457 ' OD1' ' HB2' ' A' ' 37' ' ' ALA . 3.4 t0 -74.43 86.67 2.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.9 mm-40 -76.32 -47.42 23.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.1 tp -50.02 -45.26 51.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.457 ' HB2' ' OD1' ' A' ' 34' ' ' ASP . . . -41.7 -40.61 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 41' ' ' LEU . 93.0 t -78.1 -62.22 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -39.96 -42.28 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -76.1 -37.14 58.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.4 ' N ' ' O ' ' A' ' 38' ' ' VAL . 53.9 tp -58.22 -39.59 79.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.6 mttm -60.63 -52.62 64.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -49.43 -49.94 42.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.499 ' SG ' ' CE ' ' A' ' 50' ' ' MET . 1.7 t -42.61 -62.17 1.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.6 mt -54.39 -43.6 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -60.92 -35.05 75.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.403 ' CB ' HG22 ' A' ' 49' ' ' THR . 35.4 mttp -92.54 10.83 28.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? 42.06 33.92 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.902 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.545 ' O ' HG23 ' A' ' 49' ' ' THR . 10.9 t -132.32 116.23 16.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.535 ' SD ' ' HB2' ' A' ' 10' ' ' ALA . 37.8 mmt -76.25 48.69 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -133.37 120.69 21.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 53' ' ' ARG . . . 154.67 -49.76 0.49 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.534 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.448 ' C ' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -34.36 127.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.797 0.332 . . . . 0.0 110.883 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 71.8 m -132.04 -40.25 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.6 m -110.25 148.87 31.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -79.7 152.88 29.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.7 t -75.98 98.06 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.444 ' CD2' ' HB2' ' A' ' 33' ' ' ASN . 13.5 t80 -97.95 120.99 39.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -154.03 119.95 5.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.5 m -99.17 131.47 45.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 95.0 mt -103.44 129.38 55.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.134 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.417 ' ND2' ' CD1' ' A' ' 31' ' ' ILE . 74.2 m-20 -102.05 116.48 32.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.446 ' C ' ' SD ' ' A' ' 74' ' ' MET . 56.5 mtp -118.94 120.56 37.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.453 ' N ' ' SD ' ' A' ' 74' ' ' MET . 1.7 p-10 -91.2 122.34 33.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.58 162.23 38.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -88.48 140.83 29.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.736 ' HB ' HG11 ' A' ' 140' ' ' VAL . 4.3 m -113.75 -46.34 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.3 t -171.96 -179.93 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 71' ' ' LYS . 75.9 m-20 43.65 50.57 6.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.827 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' ASP . 12.4 pt-20 34.39 33.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 69' ' ' ASP . 25.0 mtmt -109.34 165.7 11.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 29.5 mtp -127.89 154.83 45.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.785 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -148.45 169.81 19.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.453 ' SD ' ' N ' ' A' ' 64' ' ' ASN . 1.4 tpt -110.48 142.5 42.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -114.9 131.46 56.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.3 m -100.22 116.63 32.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.459 ' HG ' HG22 ' A' ' 94' ' ' VAL . 6.7 mp -108.81 92.81 4.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.85 93.78 2.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 50.9 t -99.27 136.06 39.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 91.2 mt -132.47 117.24 30.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.798 ' CD1' HD21 ' A' ' 17' ' ' LEU . 11.9 mt -92.87 117.86 67.7 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.605 0.717 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -173.53 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -92.8 -4.74 52.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.759 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 19.7 mtmm -91.14 -45.56 8.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.74 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 2.5 t80 -25.03 142.5 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.689 0.757 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.74 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.76 -10.92 11.73 Favored 'Cis proline' 0 C--N 1.342 0.202 0 C-N-CA 122.718 -1.784 . . . . 0.0 112.344 -0.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.759 ' HB3' ' HB3' ' A' ' 84' ' ' LYS . . . -28.98 -76.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.059 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.754 HG11 ' CE ' ' A' ' 84' ' ' LYS . 2.9 m -101.31 127.29 54.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.0 mt -46.13 158.47 0.37 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.638 0.733 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.632 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.74 -169.18 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.646 2.231 . . . . 0.0 112.358 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -132.42 80.04 1.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.4 mt -90.12 140.61 15.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.9 m -134.63 100.99 4.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.459 HG22 ' HG ' ' A' ' 77' ' ' LEU . 49.6 t -73.13 124.89 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.152 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -136.06 130.28 33.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.8 t -148.84 119.9 7.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.7 m -42.22 -29.34 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.145 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.785 HD11 ' CB ' ' A' ' 73' ' ' ALA . 19.5 mt -61.02 -56.8 16.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.646 HD23 HE21 ' A' ' 103' ' ' GLN . 8.1 mt -68.91 158.06 35.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.473 ' H ' ' CG ' ' A' ' 103' ' ' GLN . 28.5 p -101.37 150.68 22.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -47.31 -20.11 0.19 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.6 m -80.2 -68.33 0.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.646 HE21 HD23 ' A' ' 99' ' ' LEU . 8.3 pt20 -58.56 -45.29 89.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.3 tp60 -50.19 -37.07 33.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 79.1 m -54.76 -60.71 2.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -54.28 -44.42 71.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.592 HD12 ' CD2' ' A' ' 139' ' ' TYR . 9.8 tt -50.77 -50.73 55.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -51.08 -57.38 8.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 57.9 m -48.02 -55.23 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.172 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.74 -60.39 3.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.495 HD13 HG23 ' A' ' 132' ' ' VAL . 18.1 tp -39.01 -44.09 1.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 21.2 m -66.34 -53.28 38.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -41.02 -58.38 1.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.081 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.635 ' CG ' ' CD1' ' A' ' 131' ' ' TRP . 21.4 t80 -35.23 -62.95 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 116' ' ' GLN . 7.1 mt -57.93 -57.04 14.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 115' ' ' LEU . 28.0 mt-30 -35.19 -35.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 115' ' ' LEU . 28.3 tttt -96.59 -65.31 0.98 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -51.98 -62.59 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 8.8 m -107.84 103.22 12.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -126.6 87.41 2.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 109.66 39.32 1.62 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -153.02 169.56 22.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.892 0.377 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.645 ' O ' HG23 ' A' ' 123' ' ' VAL . 31.5 m -101.93 90.87 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 5.2 m -135.04 103.61 5.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.738 HD11 HD21 ' A' ' 81' ' ' LEU . 33.8 mm -95.96 -38.83 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.107 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 17.3 mt -57.52 -37.72 73.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -51.73 -39.76 58.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.37 -60.84 2.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.072 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 68.0 p -47.09 -46.16 22.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -60.77 -29.32 69.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.694 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 18.4 t90 -85.35 -19.44 31.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.495 HG23 HD13 ' A' ' 111' ' ' LEU . 50.8 t -87.28 -57.3 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 134' ' ' GLU . 8.5 ptt-85 -42.37 -29.91 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.443 ' N ' ' HG3' ' A' ' 133' ' ' ARG . 4.5 tm-20 -88.57 -67.65 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.694 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 13.5 m-70 -47.27 -52.76 15.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.76 -69.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.094 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 51.6 p -39.34 -37.63 0.46 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -61.63 -59.12 10.31 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.592 ' CD2' HD12 ' A' ' 107' ' ' LEU . 89.5 m-85 -53.23 -44.07 67.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.377 . . . . 0.0 110.934 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.736 HG11 ' HB ' ' A' ' 67' ' ' VAL . 67.9 t -53.88 118.72 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.139 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 5.2 m -151.38 179.68 8.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 56.5 ttt-85 43.83 44.82 5.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -97.46 91.61 5.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 44.5 p -107.15 96.71 6.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 52.9 p -57.9 -52.39 65.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 148' ' ' GLY . 67.5 p -167.3 174.95 7.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.0 t -50.09 90.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 146' ' ' SER . . . -90.82 -86.99 1.39 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 121.11 7.81 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.68 2.254 . . . . 0.0 112.377 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 97.6 p -171.22 162.24 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 78.4 p -103.87 162.39 13.16 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -116.54 121.02 40.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.864 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.3 m -142.79 156.81 45.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.5 -50.93 0.78 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 t -90.48 -61.35 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.901 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -66.1 150.06 49.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.9 85.86 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.503 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.409 ' CD ' ' H ' ' A' ' 8' ' ' GLU . 1.8 pm0 -61.63 -20.46 63.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.797 0.332 . . . . 0.0 110.911 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -71.66 -51.58 22.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.942 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.86 -29.11 69.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -78.76 -40.7 32.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -46.3 -46.33 17.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -67.38 -69.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.506 HD13 ' HG3' ' A' ' 42' ' ' LYS . 15.1 tp -40.23 -53.84 2.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -38.74 -54.53 1.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -56.7 -61.33 2.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.516 ' HA ' HD12 ' A' ' 20' ' ' LEU . 26.6 mt -41.66 -58.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.952 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -46.83 -42.2 16.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.1 tp -70.4 -42.61 71.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 17' ' ' LEU . 33.0 mt -54.0 -55.98 22.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.12 -43.98 3.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.4 m -78.23 -36.51 46.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 74.4 mmm -55.64 -33.27 63.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -112.21 77.14 2.05 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.681 0.753 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -40.61 5.14 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.669 2.246 . . . . 0.0 112.329 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -42.15 164.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.497 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -83.03 156.69 23.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 41.25 36.89 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -92.99 -37.62 12.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.441 HD23 ' C ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -143.98 142.5 30.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mp -139.24 123.1 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.457 HG22 ' CB ' ' A' ' 59' ' ' PHE . 49.5 t -102.24 98.87 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -69.63 -48.52 59.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -84.6 98.67 10.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.842 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.1 mp0 -88.75 -46.55 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' ' 36' ' ' LEU . 2.2 mm? -40.29 -59.46 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' LEU . . . -36.9 -45.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.059 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 39' ' ' ALA . 90.5 t -70.43 -66.98 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.15 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' VAL . . . -36.6 -46.96 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.46 -51.01 67.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.482 HD13 ' CZ ' ' A' ' 53' ' ' ARG . 27.1 tp -54.33 -50.93 66.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.506 ' HG3' HD13 ' A' ' 14' ' ' LEU . 8.7 mtpp -56.85 -52.77 63.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -55.7 -43.31 76.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.421 ' O ' ' N ' ' A' ' 47' ' ' LYS . 38.4 t -48.7 -64.2 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 19.4 mt -40.62 -45.16 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -64.55 -38.25 90.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 44' ' ' CYS . 6.2 mtpm? -80.05 -11.01 59.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp 54.39 44.27 29.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.905 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.479 ' O ' HG23 ' A' ' 49' ' ' THR . 5.0 t -152.94 112.69 3.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 23.8 mmt -75.93 76.55 2.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.916 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -127.17 123.51 36.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.469 ' O ' ' C ' ' A' ' 53' ' ' ARG . . . 118.67 -92.1 0.53 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.507 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.482 ' CZ ' HD13 ' A' ' 41' ' ' LEU . 0.4 OUTLIER 31.06 46.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 110.911 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.3 m -96.01 38.78 1.16 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -173.14 124.54 0.42 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 38.3 mttt -78.7 152.46 31.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 42.7 t -78.37 97.25 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -96.99 128.02 43.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.971 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.496 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 3.8 p90 -158.34 127.46 5.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.0 m -93.99 141.29 28.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.12 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 71.1 mt -117.57 124.81 73.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.48 ' HB3' ' CE ' ' A' ' 74' ' ' MET . 63.4 m-80 -102.39 121.18 41.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.598 ' HE3' ' HB3' ' A' ' 133' ' ' ARG . 15.9 mtm -121.83 118.18 28.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.447 ' C ' ' HG ' ' A' ' 65' ' ' LEU . 6.8 m-20 -81.68 115.87 21.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.549 HD13 ' HA ' ' A' ' 133' ' ' ARG . 1.0 OUTLIER -146.69 154.05 40.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -69.02 144.98 53.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.615 HG23 ' N ' ' A' ' 68' ' ' SER . 27.5 m -118.2 -52.72 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.615 ' N ' HG23 ' A' ' 67' ' ' VAL . 5.9 t -174.89 -174.99 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 68' ' ' SER . 1.4 m-20 34.98 51.23 0.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.438 ' HG2' ' C ' ' A' ' 69' ' ' ASP . 10.9 pt-20 41.51 46.17 2.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.506 ' CG ' ' O ' ' A' ' 68' ' ' SER . 1.3 ptmt -144.34 162.81 35.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.2 ptm -124.19 176.22 6.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.533 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -146.91 172.04 14.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.081 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.48 ' CE ' ' HB3' ' A' ' 62' ' ' ASN . 1.5 tpt -99.38 104.71 16.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.498 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 45.0 m-85 -89.83 111.31 22.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.858 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 55.3 m -93.77 118.47 31.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.7 mp -107.52 100.85 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -77.09 93.23 3.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 16.7 m -95.0 137.32 34.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 90.3 mt -140.08 124.9 19.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.183 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.518 HD23 ' HB3' ' A' ' 90' ' ' PRO . 18.4 mt -95.67 122.82 57.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.621 0.724 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.505 ' HG3' HG23 ' A' ' 88' ' ' VAL . 54.0 Cg_endo -69.8 -168.39 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.664 2.243 . . . . 0.0 112.35 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -93.98 -24.32 17.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.538 ' CB ' ' HB3' ' A' ' 87' ' ' ALA . 8.9 mttt -76.66 -37.74 55.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.775 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.6 t80 -28.68 142.14 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.677 0.751 . . . . 0.0 110.914 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.775 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 54.1 Cg_endo -69.75 -7.31 9.88 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 -1.811 . . . . 0.0 112.377 -0.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.538 ' HB3' ' CB ' ' A' ' 84' ' ' LYS . . . -32.13 -77.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.505 HG23 ' HG3' ' A' ' 82' ' ' PRO . 1.9 m -97.2 125.05 50.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.448 ' CD2' ' HD2' ' A' ' 90' ' ' PRO . 15.2 mt -43.84 160.8 0.22 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.632 0.729 . . . . 0.0 110.931 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.573 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.2 Cg_endo -69.76 177.03 5.99 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -117.43 78.62 1.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.418 ' CG2' HD21 ' A' ' 111' ' ' LEU . 59.0 mt -87.98 135.93 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.573 HG23 HD21 ' A' ' 108' ' ' ASN . 89.3 m -133.42 103.1 5.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.182 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 13.9 t -74.85 127.58 36.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.7 mmt85 -131.22 144.07 51.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.7 t -167.95 140.14 3.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.442 HG13 HD23 ' A' ' 98' ' ' LEU . 2.8 p -60.02 -37.7 73.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.533 HD11 ' CB ' ' A' ' 73' ' ' ALA . 11.3 mt -58.38 -57.12 14.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.54 131.05 49.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 11.0 p -82.64 160.41 22.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -44.88 -47.12 11.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.4 m -67.39 -63.81 0.98 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -43.05 -56.92 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.634 HE22 HD22 ' A' ' 107' ' ' LEU . 9.4 tp60 -46.05 -47.98 16.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 62.5 m -43.08 -43.39 4.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.131 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.41 ' NE2' ' OD2' ' A' ' 110' ' ' ASP . 25.3 tp60 -68.15 -74.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.636 ' C ' HD23 ' A' ' 107' ' ' LEU . 5.0 tt -39.95 -51.11 2.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.573 HD21 HG23 ' A' ' 93' ' ' THR . 2.4 t-20 -49.13 -50.76 35.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 86.1 m -66.54 -49.54 66.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.155 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.41 ' OD2' ' NE2' ' A' ' 106' ' ' GLN . 8.6 m-20 -50.01 -52.03 37.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.61 HD11 ' HB1' ' A' ' 128' ' ' ALA . 10.5 tp -41.14 -54.79 2.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 97.8 m -57.36 -55.5 33.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 114' ' ' PHE . . . -42.86 -55.92 3.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 113' ' ' ALA . 16.6 t80 -37.02 -54.97 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 117' ' ' LYS . 69.6 mt -60.38 -58.99 6.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.427 ' HG2' ' CD1' ' A' ' 89' ' ' LEU . 11.4 mt-30 -39.39 -27.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 115' ' ' LEU . 0.1 OUTLIER -97.1 -66.67 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -60.69 -66.46 0.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 2.2 m -114.46 113.18 24.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.2 t-160 -146.79 109.79 4.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 113.66 -14.15 22.45 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -117.46 166.85 11.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.796 0.331 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 123' ' ' VAL . 30.5 m -86.5 109.63 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.13 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 3.3 m -158.48 106.24 1.91 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 16.5 mm -94.79 -43.09 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 127' ' ' ASN . 12.0 mt -49.38 -57.03 7.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 126' ' ' LEU . 11.9 m120 -34.39 -37.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.61 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -71.61 -53.44 13.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.102 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 69.3 p -60.08 -16.91 35.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -84.32 -20.0 32.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.537 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 13.8 t90 -94.8 -25.89 16.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.58 HG23 HD13 ' A' ' 111' ' ' LEU . 42.2 t -81.01 -53.2 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.146 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.598 ' HB3' ' HE3' ' A' ' 63' ' ' MET . 5.4 ppt_? -39.72 -30.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -94.62 -65.44 0.98 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.537 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 5.0 m-70 -45.25 -50.76 11.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.498 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -33.67 -70.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 16.3 t -50.46 -37.37 38.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 135' ' ' HIS . . . -51.41 -41.73 48.96 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.429 ' CD2' HD12 ' A' ' 107' ' ' LEU . 97.0 m-85 -74.68 -51.24 14.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.889 0.376 . . . . 0.0 110.912 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.543 HG11 ' HB ' ' A' ' 67' ' ' VAL . 61.0 t -49.83 117.73 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 3.2 m -158.65 156.06 29.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -85.45 113.37 21.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -135.44 145.52 47.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 43.6 p -133.58 -58.26 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.2 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 87.7 p -78.36 167.1 21.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 1.1 t -79.7 111.22 15.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.789 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 6.6 t -65.35 -59.05 4.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 151.13 -155.88 26.37 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.54 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 150' ' ' SER . 53.5 Cg_endo -69.72 102.11 0.98 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.707 2.271 . . . . 0.0 112.362 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 149' ' ' PRO . 19.7 m -34.53 107.38 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 29.3 t -129.03 134.09 47.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.452 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 p -149.31 174.81 12.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.836 0.351 . . . . 0.0 110.919 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.9 t -77.37 118.47 19.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.1 133.79 11.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.9 m -101.22 43.3 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.857 0.361 . . . . 0.0 110.831 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.3 m -93.4 101.21 13.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.816 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.22 72.54 0.45 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.52 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -70.57 -26.76 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.342 . . . . 0.0 110.926 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -63.55 -52.18 62.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.68 -37.32 63.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -73.9 -41.84 61.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -38.92 -52.42 1.77 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -68.9 -47.69 65.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.744 HD11 ' NZ ' ' A' ' 42' ' ' LYS . 37.3 tp -52.36 -63.51 1.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.09 -56.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -52.34 -43.03 64.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 14' ' ' LEU . 60.9 mt -65.83 -66.59 0.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -44.63 -48.71 10.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.557 HD23 ' HG2' ' A' ' 23' ' ' MET . 4.5 tt -55.54 -58.89 5.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 21' ' ' ALA . 29.2 mt -40.67 -55.22 2.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -37.29 -44.52 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.083 179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t -75.79 -40.71 54.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.557 ' HG2' HD23 ' A' ' 19' ' ' LEU . 77.4 mmm -55.32 -30.29 59.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -108.01 75.41 0.53 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.7 0.762 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 26' ' ' GLY . 54.0 Cg_endo -69.76 -38.85 7.23 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.693 2.262 . . . . 0.0 112.353 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 25' ' ' PRO . . . -36.86 146.93 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.486 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -74.96 124.67 27.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.907 0.384 . . . . 0.0 110.885 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 66.72 44.35 2.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -95.35 -58.53 2.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.527 HD21 HG23 ' A' ' 32' ' ' VAL . 0.9 OUTLIER -113.43 141.1 47.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.1 mp -133.25 124.15 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.563 HG22 ' CB ' ' A' ' 59' ' ' PHE . 67.7 t -105.88 94.12 2.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -61.31 -58.21 9.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.68 87.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -79.59 -51.26 9.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 12.4 tp -49.45 -47.42 48.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -50.0 -44.63 51.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.517 HG12 ' HE2' ' A' ' 42' ' ' LYS . 80.7 t -69.79 -47.5 69.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -48.91 -56.11 9.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.091 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -51.76 -47.21 64.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.41 HD12 ' HA ' ' A' ' 41' ' ' LEU . 11.8 tp -48.75 -34.51 12.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.744 ' NZ ' HD11 ' A' ' 14' ' ' LEU . 1.7 mptp? -75.73 -66.06 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -42.64 -36.03 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 78.0 m -64.37 -51.02 65.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 20.4 mt -66.77 -44.41 89.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -60.12 -50.51 73.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -79.64 7.25 8.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.841 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? 46.61 38.16 5.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.866 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.507 ' O ' HG23 ' A' ' 49' ' ' THR . 11.6 t -130.3 121.05 25.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.22 86.09 2.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -71.55 -43.13 66.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.873 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 127.67 102.14 1.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.529 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.63 ' H ' ' NE ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -44.35 151.03 0.27 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.341 . . . . 0.0 110.887 -179.85 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.5 t -114.42 -41.25 3.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.4 m -106.37 144.84 32.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.624 ' HB3' HG23 ' A' ' 80' ' ' ILE . 17.8 mttp -80.87 135.2 35.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.8 t -59.35 95.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.147 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -101.73 124.01 46.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 79' ' ' CYS . 10.9 p90 -155.57 121.59 5.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.5 m -91.23 143.25 26.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 62.8 mt -116.71 123.15 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.117 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.417 ' HB3' ' CE ' ' A' ' 74' ' ' MET . 75.8 m-20 -97.42 107.51 20.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.48 ' HE3' HD11 ' A' ' 65' ' ' LEU . 19.3 mtm -110.31 122.03 46.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.431 ' HB2' ' CE ' ' A' ' 72' ' ' MET . 17.9 p30 -92.08 109.09 20.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.547 HD13 ' HA ' ' A' ' 133' ' ' ARG . 3.2 mt -129.52 147.52 51.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -76.78 128.72 35.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.599 HG23 ' N ' ' A' ' 68' ' ' SER . 22.6 m -106.34 -48.95 8.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.599 ' N ' HG23 ' A' ' 67' ' ' VAL . 15.1 p -169.56 172.41 7.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 71' ' ' LYS . 10.4 m-20 46.52 52.68 10.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 38.01 29.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 69' ' ' ASP . 0.5 OUTLIER -117.72 174.57 6.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.431 ' CE ' ' HB2' ' A' ' 64' ' ' ASN . 6.6 ptm -147.07 158.47 43.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.774 ' CB ' HD11 ' A' ' 98' ' ' LEU . . . -128.1 162.13 27.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.109 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.417 ' CE ' ' HB3' ' A' ' 62' ' ' ASN . 4.1 tpt -92.71 119.14 31.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.407 ' HZ ' HG21 ' A' ' 140' ' ' VAL . 14.8 m-85 -97.4 123.66 41.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.6 m -97.52 113.94 25.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.3 mp -108.92 93.88 4.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.959 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.98 94.98 1.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.107 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 59' ' ' PHE . 12.3 m -93.02 122.79 35.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.624 HG23 ' HB3' ' A' ' 56' ' ' LYS . 96.0 mt -126.25 116.08 44.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.061 HD21 HD11 ' A' ' 125' ' ' ILE . 22.1 mt -99.04 117.21 64.6 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.58 0.705 . . . . 0.0 110.935 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -172.26 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.667 2.245 . . . . 0.0 112.371 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -86.48 -28.41 23.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.83 ' HE3' HG11 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -67.59 -45.87 74.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.809 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.1 t80 -27.89 142.48 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.699 0.761 . . . . 0.0 110.895 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.809 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.75 -9.36 10.95 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.748 -1.772 . . . . 0.0 112.336 -0.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.554 ' HB3' ' HB3' ' A' ' 84' ' ' LYS . . . -31.63 -77.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.83 HG11 ' HE3' ' A' ' 84' ' ' LYS . 2.3 m -95.72 124.68 48.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 88' ' ' VAL . 0.7 OUTLIER -39.7 161.29 0.09 OUTLIER Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.611 0.719 . . . . 0.0 110.885 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.584 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 54.4 Cg_endo -69.72 -169.64 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -133.26 64.13 1.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 78.3 mt -75.69 138.33 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 99.1 m -134.07 99.77 4.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 45.4 t -73.43 137.84 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.068 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 34.2 mmt-85 -147.45 137.65 23.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.55 ' HB3' HD12 ' A' ' 99' ' ' LEU . 7.8 t -151.5 137.24 17.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 35.1 m -59.04 -33.72 51.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.09 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.774 HD11 ' CB ' ' A' ' 73' ' ' ALA . 18.4 mt -64.81 -51.15 63.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.55 HD12 ' HB3' ' A' ' 96' ' ' SER . 9.8 mt -63.97 173.08 1.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 84.1 p -113.4 174.19 6.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -38.96 91.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 39.8 m -77.3 -59.43 2.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -48.81 -62.42 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.419 HE22 HD22 ' A' ' 107' ' ' LEU . 13.9 tp60 -38.54 -51.26 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 92.1 m -45.79 -64.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.158 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 61.0 tp60 -39.88 -58.41 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.448 ' C ' HD23 ' A' ' 107' ' ' LEU . 8.8 tt -41.64 -53.6 3.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -53.32 -54.85 30.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 43.1 m -42.46 -37.81 1.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.545 ' HB3' ' CZ2' ' A' ' 131' ' ' TRP . 0.7 OUTLIER -80.43 -57.25 3.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.624 HD11 ' HB1' ' A' ' 128' ' ' ALA . 8.4 tp -36.69 -59.46 0.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 113' ' ' ALA . 27.6 m -57.05 -61.17 2.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 112' ' ' THR . . . -37.84 -51.07 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.458 ' CG ' ' CD1' ' A' ' 131' ' ' TRP . 27.4 t80 -39.6 -62.37 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 119' ' ' CYS . 10.3 mt -57.18 -61.91 2.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 115' ' ' LEU . 11.4 mt-30 -36.48 -34.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 115' ' ' LEU . 10.5 tptm -84.33 -64.55 1.14 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -68.73 -58.32 4.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.495 ' N ' ' O ' ' A' ' 115' ' ' LEU . 60.7 m -97.38 100.59 12.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -123.9 126.67 46.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 71.21 40.37 61.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -151.37 -177.8 6.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 123' ' ' VAL . 32.1 m -118.44 91.96 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . . . . . . . . . 2.6 t -129.04 99.82 5.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 1.061 HD11 HD21 ' A' ' 81' ' ' LEU . 25.0 mm -91.36 -32.9 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 127' ' ' ASN . 12.9 mt -60.89 -60.64 3.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 126' ' ' LEU . 20.2 t-20 -34.47 -35.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.624 ' HB1' HD11 ' A' ' 111' ' ' LEU . . . -66.73 -51.37 56.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.09 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 126' ' ' LEU . 43.6 p -61.92 -32.26 72.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.166 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -75.55 -22.44 57.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.639 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 40.0 t90 -89.38 -17.6 28.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 134' ' ' GLU . 17.8 t -88.21 -63.52 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.547 ' HA ' HD13 ' A' ' 65' ' ' LEU . 6.9 ptm180 -37.08 -29.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 132' ' ' VAL . 23.7 tt0 -88.86 -61.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.639 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 16.3 m-70 -54.23 -53.62 51.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 135' ' ' HIS . . . -33.97 -66.96 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 136' ' ' ALA . 94.3 p -35.0 -43.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -57.21 -58.51 14.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.449 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -61.93 -52.51 63.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.943 0.401 . . . . 0.0 110.976 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.407 HG21 ' HZ ' ' A' ' 75' ' ' PHE . 97.1 t -43.05 113.96 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.16 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 14.7 m -150.6 111.28 4.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.77 132.22 14.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -133.58 -58.43 0.88 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.7 t -46.76 163.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 86.4 p -129.56 114.61 16.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.821 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 19.6 m -122.21 -57.96 1.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.866 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 50.4 m -51.5 113.34 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.795 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . 159.68 -96.8 0.15 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 119.37 6.32 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.723 2.282 . . . . 0.0 112.342 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 80.0 p -107.26 134.52 50.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.86 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 97.2 p -104.26 106.53 17.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.5 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -107.11 106.19 16.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -91.26 162.64 14.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.86 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.23 -89.23 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 m -79.78 113.91 18.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.37 . . . . 0.0 110.84 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.3 m -114.83 44.08 1.84 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.11 44.86 0.9 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -71.43 -49.16 44.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.736 0.303 . . . . 0.0 110.888 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -43.45 -54.27 4.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.07 -44.81 64.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.098 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -65.4 -38.1 88.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -49.92 -51.09 43.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -70.73 -39.9 73.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 15' ' ' ALA . 33.9 tp -57.22 -65.21 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' LEU . . . -35.75 -59.9 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.097 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.5 ' OE2' ' N ' ' A' ' 124' ' ' CYS . 25.2 tt0 -45.94 -50.51 14.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.644 HD21 HG11 ' A' ' 57' ' ' VAL . 54.5 mt -55.89 -69.59 0.14 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -43.28 -42.06 4.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.839 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 20' ' ' LEU . 4.8 tt -57.4 -65.62 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.927 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 23' ' ' MET . 10.8 mt -36.17 -58.63 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.13 -46.84 0.26 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.4 m -68.62 -42.74 77.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 20' ' ' LEU . 93.8 mmm -55.21 -35.52 64.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -109.68 82.6 2.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.655 0.741 . . . . 0.0 110.867 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -25.87 27.82 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.69 2.26 . . . . 0.0 112.31 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -49.28 162.91 0.59 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -86.96 -37.68 17.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.858 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -111.69 33.62 4.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -93.2 -40.91 10.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.458 HD21 HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -141.86 140.87 33.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.97 117.03 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.458 HG23 HD21 ' A' ' 30' ' ' LEU . 53.1 t -92.23 94.87 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.13 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -58.11 -56.1 26.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.18 105.23 9.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 32' ' ' VAL . 9.0 mp0 -94.35 -36.42 11.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.408 ' C ' HD23 ' A' ' 36' ' ' LEU . 8.6 tt -61.45 -45.1 95.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -46.37 -40.73 12.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.9 t -72.84 -48.36 45.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.29 -48.6 24.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.1 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -60.4 -47.41 86.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.8 tp -52.34 -44.68 65.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -71.45 -63.3 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -41.46 -32.5 0.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 12.9 m -69.83 -64.45 0.88 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 18.7 mt -51.08 -46.54 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -59.61 -39.8 85.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -85.03 1.32 48.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm 56.98 41.14 28.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.493 ' O ' ' CE ' ' A' ' 50' ' ' MET . 2.4 t -136.99 168.46 19.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.493 ' CE ' ' O ' ' A' ' 49' ' ' THR . 24.8 mmt -133.74 67.53 1.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -45.85 -48.0 15.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 128.71 100.83 1.0 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.9 mtp-105 -61.21 112.12 2.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.799 0.333 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.0 t -98.69 -37.21 9.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.817 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.4 m -94.46 118.18 31.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -67.21 147.3 53.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.905 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.644 HG11 HD21 ' A' ' 17' ' ' LEU . 96.0 t -72.55 98.42 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -98.77 124.23 43.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -155.84 133.81 11.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 41.9 m -103.21 150.63 23.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.9 mt -123.6 122.38 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -94.43 109.71 21.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 54.4 mtp -111.02 112.84 24.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -88.05 111.88 22.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 133' ' ' ARG . 1.1 mt -131.88 155.77 47.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -82.17 118.67 23.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.958 ' HB ' HG11 ' A' ' 140' ' ' VAL . 26.7 m -91.78 -51.18 11.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.618 ' N ' HG23 ' A' ' 67' ' ' VAL . 40.3 p -174.57 178.64 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 47.81 47.85 17.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 42.88 27.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -119.51 179.18 4.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.8 ptm -147.25 164.56 32.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.631 ' HB2' HD11 ' A' ' 98' ' ' LEU . . . -132.63 175.14 9.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.074 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 11.9 ttm -106.59 115.89 30.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.645 ' CE2' ' HB1' ' A' ' 136' ' ' ALA . 11.6 m-85 -96.52 114.14 25.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.9 m -93.45 114.32 26.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.806 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.44 HD22 HG22 ' A' ' 129' ' ' THR . 6.7 mp -104.71 96.21 6.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.951 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.439 ' HB3' ' HB ' ' A' ' 93' ' ' THR . . . -74.98 100.01 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 60.7 m -98.88 137.39 37.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 68.2 mt -138.99 113.71 7.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.157 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.769 HD21 HD11 ' A' ' 125' ' ' ILE . 36.7 mt -92.18 114.66 62.87 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.619 0.723 . . . . 0.0 110.956 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -172.75 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -88.04 -12.79 43.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.781 ' HB2' HG22 ' A' ' 88' ' ' VAL . 20.5 mmtt -80.01 -51.4 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.703 ' CD1' ' HA ' ' A' ' 86' ' ' PRO . 1.9 t80 -26.3 141.07 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.731 0.777 . . . . 0.0 110.911 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.703 ' HA ' ' CD1' ' A' ' 85' ' ' TYR . 53.8 Cg_endo -69.73 -12.4 12.12 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.384 -0.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.592 ' HB3' ' HB3' ' A' ' 84' ' ' LYS . . . -33.09 -73.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.781 HG22 ' HB2' ' A' ' 84' ' ' LYS . 3.2 m -99.48 122.13 50.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.666 HD11 ' HA ' ' A' ' 116' ' ' GLN . 8.3 mt -42.9 161.78 0.18 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.632 0.73 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.626 ' HD3' ' CE1' ' A' ' 85' ' ' TYR . 53.9 Cg_endo -69.74 -175.22 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.666 2.244 . . . . 0.0 112.376 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -128.24 59.92 1.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 76.1 mt -66.46 133.91 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.128 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.439 ' HB ' ' HB3' ' A' ' 78' ' ' ALA . 53.5 m -127.02 101.9 6.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.718 ' CG2' HD22 ' A' ' 111' ' ' LEU . 13.4 t -78.48 139.8 17.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -147.54 158.66 44.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.444 ' HB3' HD12 ' A' ' 99' ' ' LEU . 43.0 t -163.42 152.89 14.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 4.7 m -79.45 -7.88 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.631 HD11 ' HB2' ' A' ' 73' ' ' ALA . 39.6 mt -97.58 -43.29 7.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.444 HD12 ' HB3' ' A' ' 96' ' ' SER . 13.5 mt -72.58 139.2 47.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 39.4 p -80.05 153.37 28.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -49.5 -27.95 4.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.5 m -79.22 -64.63 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.845 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -48.25 -56.53 7.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -44.13 -52.13 7.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 86.3 m -41.23 -49.16 3.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -56.11 -63.03 1.32 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.674 ' C ' HD23 ' A' ' 107' ' ' LEU . 5.7 tt -41.23 -35.27 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -69.7 -59.95 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 89.2 m -44.28 -31.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 111' ' ' LEU . 83.4 m-20 -88.67 -47.92 7.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.718 HD22 ' CG2' ' A' ' 94' ' ' VAL . 14.2 tp -36.45 -46.29 0.54 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.45 ' O ' ' C ' ' A' ' 113' ' ' ALA . 5.3 m -68.24 -59.87 2.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 112' ' ' THR . . . -34.02 -46.25 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . 0.667 ' CG ' ' CD1' ' A' ' 131' ' ' TRP . 30.8 t80 -51.76 -64.92 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.003 HD11 ' HB2' ' A' ' 128' ' ' ALA . 13.6 mt -64.02 -24.77 67.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.666 ' HA ' HD11 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -80.46 -23.79 39.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.936 179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 113' ' ' ALA . 22.1 tptt -68.58 -56.38 8.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -103.27 -53.6 2.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' CYS . . . . . 0.462 ' C ' ' O ' ' A' ' 115' ' ' LEU . 13.3 m -75.61 52.48 0.65 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 23.2 t-160 -76.0 93.65 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 98.86 -55.23 1.0 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.485 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -39.45 148.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.898 0.38 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.508 ' O ' HG23 ' A' ' 123' ' ' VAL . 19.5 m -80.72 111.79 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' CYS . . . . . 0.5 ' N ' ' OE2' ' A' ' 16' ' ' GLU . 16.8 m -161.91 105.77 1.21 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.769 HD11 HD21 ' A' ' 81' ' ' LEU . 24.5 mm -96.25 -30.71 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 128' ' ' ALA . 13.0 mt -59.82 -57.39 13.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.96 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.465 ' C ' HD21 ' A' ' 115' ' ' LEU . 5.4 m120 -36.53 -29.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 1.003 ' HB2' HD11 ' A' ' 115' ' ' LEU . . . -71.22 -57.29 4.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.113 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.44 HG22 HD22 ' A' ' 77' ' ' LEU . 67.2 p -55.22 -55.97 25.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -52.58 -23.66 6.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.735 ' CE2' ' CD2' ' A' ' 135' ' ' HIS . 4.6 t90 -88.34 -20.59 25.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . 0.459 HG23 HD13 ' A' ' 111' ' ' LEU . 20.9 t -85.86 -51.98 12.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.145 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.41 ' HA ' HD13 ' A' ' 65' ' ' LEU . 4.7 ptt180 -50.3 -28.49 7.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -87.82 -50.38 6.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' HIS . . . . . 0.735 ' CD2' ' CE2' ' A' ' 131' ' ' TRP . 22.6 m-70 -67.68 -58.84 3.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.645 ' HB1' ' CE2' ' A' ' 75' ' ' PHE . . . -34.11 -63.96 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.058 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 136' ' ' ALA . 26.4 p -37.13 -44.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -60.62 -50.74 64.28 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -61.5 -44.15 97.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.961 0.41 . . . . 0.0 110.941 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.958 HG11 ' HB ' ' A' ' 67' ' ' VAL . 61.4 t -39.33 107.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.106 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 9.5 t -105.81 149.01 26.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ARG . . . . . . . . . . . . . 21.5 ttt-85 -106.45 148.76 27.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -160.66 130.45 5.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 76.2 p -92.79 134.04 35.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.4 t -97.96 95.52 7.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 19.9 m -66.65 132.81 48.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.863 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 16.4 m -121.1 127.26 51.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -76.97 -116.73 0.15 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.433 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 169.62 18.47 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.377 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 5.6 m -103.42 147.79 26.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 32.9 t -68.88 151.3 46.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.516 -179.983 . . . . . . . . 0 0 . 1 stop_ save_